synergy_drugInfo_combined.ipynb

{
 "cells": [
  {
   "cell_type": "code",
   "execution_count": 1,
   "metadata": {
    "collapsed": false
   },
   "outputs": [],
   "source": [
    "import numpy as np\n",
    "import pandas as pd\n",
    "from sklearn.preprocessing import Imputer"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 2,
   "metadata": {
    "collapsed": true
   },
   "outputs": [],
   "source": [
    "orig_data = pd.DataFrame.from_csv('Clean_data/train.csv', header=0)\n",
    "origX = orig_data.ix[:, :'Einf_B']\n",
    "origY = orig_data.ix[:, 'SYNERGY_SCORE']\n",
    "drug_info = pd.DataFrame.from_csv('Drug_synergy_data/Drug_info_release.csv', header=0, index_col=False)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 207,
   "metadata": {
    "collapsed": false,
    "scrolled": true
   },
   "outputs": [
    {
     "data": {
      "text/html": [
       "<div>\n",
       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>ChallengeName</th>\n",
       "      <th>Target(Official Symbol)</th>\n",
       "      <th>HBA</th>\n",
       "      <th>cLogP</th>\n",
       "      <th>HBD</th>\n",
       "      <th>Lipinski</th>\n",
       "      <th>SMILES or PubChem ID</th>\n",
       "      <th>MW</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td>ALK_2</td>\n",
       "      <td>ALK</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1</th>\n",
       "      <td>ATR_3</td>\n",
       "      <td>ATR</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2</th>\n",
       "      <td>BCL2_2</td>\n",
       "      <td>BCL2</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td>AKT_SGK</td>\n",
       "      <td>AKT*,SGK*</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4</th>\n",
       "      <td>IAP</td>\n",
       "      <td>NIAP,XIAP,BIRC2,BIRC3</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>5</th>\n",
       "      <td>IAP_2</td>\n",
       "      <td>NIAP,XIAP,BIRC2,BIRC3</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>6</th>\n",
       "      <td>SLC16A4</td>\n",
       "      <td>SLC16A3,SLC16A4</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>7</th>\n",
       "      <td>TNKS_PARP6</td>\n",
       "      <td>TNKS, PARP6</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>8</th>\n",
       "      <td>PIK3CA_2</td>\n",
       "      <td>PIK3CA</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>9</th>\n",
       "      <td>PIK3CA_3</td>\n",
       "      <td>PIK3CA</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>10</th>\n",
       "      <td>PIK3CB</td>\n",
       "      <td>PIK3CB</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>11</th>\n",
       "      <td>PIP5K1</td>\n",
       "      <td>PIP5K1*</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>12</th>\n",
       "      <td>ESR1</td>\n",
       "      <td>ESR1</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>13</th>\n",
       "      <td>WNT</td>\n",
       "      <td>WNT*,TNKS</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>14</th>\n",
       "      <td>FGFR4</td>\n",
       "      <td>FGFR4</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>15</th>\n",
       "      <td>ATM</td>\n",
       "      <td>ATM</td>\n",
       "      <td>8</td>\n",
       "      <td>4.28</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>C[C@@H]1CN(C[C@@H](O1)C)CC(=O)Nc2ccc3c(c2)Cc4c...</td>\n",
       "      <td>547.7</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>16</th>\n",
       "      <td>TOP2</td>\n",
       "      <td>TOP2*,PRKDC</td>\n",
       "      <td>4</td>\n",
       "      <td>5.44</td>\n",
       "      <td>0</td>\n",
       "      <td>1</td>\n",
       "      <td>c1ccc2c(c1)c3cccc(c3s2)c4cccc5c4oc(cc5=O)N6CCOCC6</td>\n",
       "      <td>413.5</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>17</th>\n",
       "      <td>PRKDC_2</td>\n",
       "      <td>PRKDC</td>\n",
       "      <td>8</td>\n",
       "      <td>4.39</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>CCN1CCN(CC1)CC(=O)Nc2ccc(c3c2c4ccccc4s3)c5cccc...</td>\n",
       "      <td>582.7</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>18</th>\n",
       "      <td>FGFR</td>\n",
       "      <td>FGFR1, FGFR2, FGFR3</td>\n",
       "      <td>8</td>\n",
       "      <td>4.43</td>\n",
       "      <td>3</td>\n",
       "      <td>0</td>\n",
       "      <td>C[C@@H]1CN(C[C@@H](N1)C)c2ccc(cc2)C(=O)Nc3cc(n...</td>\n",
       "      <td>463.6</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>19</th>\n",
       "      <td>MET_ALK</td>\n",
       "      <td>cMET, ALK</td>\n",
       "      <td>6</td>\n",
       "      <td>4.29</td>\n",
       "      <td>3</td>\n",
       "      <td>0</td>\n",
       "      <td>C[C@H](c1c(ccc(c1Cl)F)Cl)Oc2cc(cnc2N)c3cnn(c3)...</td>\n",
       "      <td>450.3</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>20</th>\n",
       "      <td>AKT</td>\n",
       "      <td>AKT1, AKT2, AKT3</td>\n",
       "      <td>8</td>\n",
       "      <td>1.18</td>\n",
       "      <td>5</td>\n",
       "      <td>0</td>\n",
       "      <td>c1cc(ccc1[C@H](CCO)NC(=O)C2(CCN(CC2)c3c4cc[nH]...</td>\n",
       "      <td>428.9</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>21</th>\n",
       "      <td>AKT_1</td>\n",
       "      <td>AKT*</td>\n",
       "      <td>6</td>\n",
       "      <td>3.24</td>\n",
       "      <td>3</td>\n",
       "      <td>0</td>\n",
       "      <td>c1ccc(cc1)c2cc3c(ccn4c3n[nH]c4=O)nc2c5ccc(cc5)...</td>\n",
       "      <td>407.5</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>22</th>\n",
       "      <td>ALK</td>\n",
       "      <td>ALK</td>\n",
       "      <td>8</td>\n",
       "      <td>3.89</td>\n",
       "      <td>2</td>\n",
       "      <td>1</td>\n",
       "      <td>CN1CCN(CC1)C2CCN(CC2)c3ccc(c(c3)OC)Nc4ncc(c(n4...</td>\n",
       "      <td>532.1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>23</th>\n",
       "      <td>ALK_IGFR</td>\n",
       "      <td>ALK, IGF*R</td>\n",
       "      <td>7</td>\n",
       "      <td>4.08</td>\n",
       "      <td>4</td>\n",
       "      <td>0</td>\n",
       "      <td>COc1cc(ccc1Nc2ncc(c(n2)c3c[nH]c4c3cccc4)Cl)N5C...</td>\n",
       "      <td>449.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>24</th>\n",
       "      <td>AR</td>\n",
       "      <td>AR</td>\n",
       "      <td>6</td>\n",
       "      <td>3.35</td>\n",
       "      <td>1</td>\n",
       "      <td>0</td>\n",
       "      <td>CNC(=O)c1ccc(cc1F)N2C(=S)N(C(=O)C2(C)C)c3ccc(C...</td>\n",
       "      <td>464.4</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>25</th>\n",
       "      <td>ATR_1</td>\n",
       "      <td>ATR</td>\n",
       "      <td>7</td>\n",
       "      <td>0.44</td>\n",
       "      <td>1</td>\n",
       "      <td>0</td>\n",
       "      <td>CS(=O)(=O)C1(CC1)c2cc(nc(n2)c3cccc4c3cc[nH]4)N...</td>\n",
       "      <td>398.5</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>26</th>\n",
       "      <td>ATR_2</td>\n",
       "      <td>ATR</td>\n",
       "      <td>7</td>\n",
       "      <td>0.96</td>\n",
       "      <td>1</td>\n",
       "      <td>0</td>\n",
       "      <td>C[C@@H]1COCCN1c2cc(nc(n2)c3cccc4c3cc[nH]4)C5(C...</td>\n",
       "      <td>412.5</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>27</th>\n",
       "      <td>ATR_4</td>\n",
       "      <td>ATR</td>\n",
       "      <td>8</td>\n",
       "      <td>0.59</td>\n",
       "      <td>2</td>\n",
       "      <td>0</td>\n",
       "      <td>C[C@@H]1COCCN1c2cc(nc(n2)c3ccnc4c3cc[nH]4)C5(C...</td>\n",
       "      <td>412.5</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>28</th>\n",
       "      <td>BCL2</td>\n",
       "      <td>BCL2</td>\n",
       "      <td>11</td>\n",
       "      <td>12.39</td>\n",
       "      <td>2</td>\n",
       "      <td>3</td>\n",
       "      <td>CC1(CCC(=C(C1)CN2CCN(CC2)c3ccc(cc3)C(=O)NS(=O)...</td>\n",
       "      <td>974.6</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>29</th>\n",
       "      <td>BCL2_BCL2L1</td>\n",
       "      <td>BCL2, BCL2L1</td>\n",
       "      <td>11</td>\n",
       "      <td>9.62</td>\n",
       "      <td>4</td>\n",
       "      <td>3</td>\n",
       "      <td>CN(CC[C@H](CSc1ccccc1)Nc2ccc(cc2S(=O)(=O)C(F)(...</td>\n",
       "      <td>945.5</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>...</th>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>90</th>\n",
       "      <td>NAE</td>\n",
       "      <td>NAE1,NAE2</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>16720766</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>91</th>\n",
       "      <td>HSP90</td>\n",
       "      <td>HSP90AA1</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>11955716</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>92</th>\n",
       "      <td>PIK3C_MTOR</td>\n",
       "      <td>PIK3C*,MTOR</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>25033539</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>93</th>\n",
       "      <td>BRAF_VEGFR2</td>\n",
       "      <td>BRAF,VEGFR2</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>11656518</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>94</th>\n",
       "      <td>BRAF_2</td>\n",
       "      <td>BRAF</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>11717001</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>95</th>\n",
       "      <td>PIK3C_MTOR_2</td>\n",
       "      <td>PIK3C*,MTOR</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>49867926</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>96</th>\n",
       "      <td>BIRC5</td>\n",
       "      <td>BIRC5</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>11178236</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>97</th>\n",
       "      <td>TNF</td>\n",
       "      <td>TNFA</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>60700</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>98</th>\n",
       "      <td>TNFSF10</td>\n",
       "      <td>TNFSF10</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>99</th>\n",
       "      <td>MAP2K</td>\n",
       "      <td>MAP2K1,MAP2K2</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>11707110</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>100</th>\n",
       "      <td>CD19</td>\n",
       "      <td>CD19 antibody</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>101</th>\n",
       "      <td>Proteasome</td>\n",
       "      <td>Proteasome</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>387447</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>102</th>\n",
       "      <td>PI3KCD</td>\n",
       "      <td>PIK3CD</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>11625818</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>103</th>\n",
       "      <td>Proteasome_2</td>\n",
       "      <td>Proteasome</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>11556711</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>104</th>\n",
       "      <td>TKI_2</td>\n",
       "      <td>VEGFR2,TIE2</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>11167602</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>105</th>\n",
       "      <td>MET_2</td>\n",
       "      <td>MET</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>11494412</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>106</th>\n",
       "      <td>MTOR_3</td>\n",
       "      <td>MTOR</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>23724849</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>107</th>\n",
       "      <td>ESR1_2</td>\n",
       "      <td>ESR1</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>449459</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>108</th>\n",
       "      <td>Chloroquine</td>\n",
       "      <td>Thiamine</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>2719</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>109</th>\n",
       "      <td>ESR1_3</td>\n",
       "      <td>ESR1</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>2733526</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>110</th>\n",
       "      <td>TYMS</td>\n",
       "      <td>TYMS</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>3385</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>111</th>\n",
       "      <td>Gemcitibine</td>\n",
       "      <td>Cytidine</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>66944285</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>112</th>\n",
       "      <td>Cisplatin</td>\n",
       "      <td>DNA</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>84093</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>113</th>\n",
       "      <td>PRKC</td>\n",
       "      <td>PRKC*</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>176167</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>114</th>\n",
       "      <td>MTOR_2</td>\n",
       "      <td>MTOR</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>6918289</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>115</th>\n",
       "      <td>Azacytidine</td>\n",
       "      <td>Methylation</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>9444</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>116</th>\n",
       "      <td>HDAC_4</td>\n",
       "      <td>HDAC*</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>5311</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>117</th>\n",
       "      <td>CarboTaxol</td>\n",
       "      <td>DNA</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>441276</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>118</th>\n",
       "      <td>FOLFIRI</td>\n",
       "      <td>DNA</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>56842117</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>119</th>\n",
       "      <td>FOLFOX</td>\n",
       "      <td>DNA</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>56842121</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "<p>120 rows × 8 columns</p>\n",
       "</div>"
      ],
      "text/plain": [
       "    ChallengeName Target(Official Symbol)  HBA  cLogP  HBD  Lipinski  \\\n",
       "0           ALK_2                     ALK  NaN    NaN  NaN       NaN   \n",
       "1           ATR_3                     ATR  NaN    NaN  NaN       NaN   \n",
       "2          BCL2_2                    BCL2  NaN    NaN  NaN       NaN   \n",
       "3         AKT_SGK               AKT*,SGK*  NaN    NaN  NaN       NaN   \n",
       "4             IAP   NIAP,XIAP,BIRC2,BIRC3  NaN    NaN  NaN       NaN   \n",
       "5           IAP_2   NIAP,XIAP,BIRC2,BIRC3  NaN    NaN  NaN       NaN   \n",
       "6         SLC16A4         SLC16A3,SLC16A4  NaN    NaN  NaN       NaN   \n",
       "7      TNKS_PARP6             TNKS, PARP6  NaN    NaN  NaN       NaN   \n",
       "8        PIK3CA_2                  PIK3CA  NaN    NaN  NaN       NaN   \n",
       "9        PIK3CA_3                  PIK3CA  NaN    NaN  NaN       NaN   \n",
       "10         PIK3CB                  PIK3CB  NaN    NaN  NaN       NaN   \n",
       "11         PIP5K1                 PIP5K1*  NaN    NaN  NaN       NaN   \n",
       "12           ESR1                    ESR1  NaN    NaN  NaN       NaN   \n",
       "13            WNT               WNT*,TNKS  NaN    NaN  NaN       NaN   \n",
       "14          FGFR4                   FGFR4  NaN    NaN  NaN       NaN   \n",
       "15            ATM                     ATM    8   4.28    1         1   \n",
       "16           TOP2             TOP2*,PRKDC    4   5.44    0         1   \n",
       "17        PRKDC_2                   PRKDC    8   4.39    1         1   \n",
       "18           FGFR     FGFR1, FGFR2, FGFR3    8   4.43    3         0   \n",
       "19        MET_ALK               cMET, ALK    6   4.29    3         0   \n",
       "20            AKT        AKT1, AKT2, AKT3    8   1.18    5         0   \n",
       "21          AKT_1                    AKT*    6   3.24    3         0   \n",
       "22            ALK                     ALK    8   3.89    2         1   \n",
       "23       ALK_IGFR              ALK, IGF*R    7   4.08    4         0   \n",
       "24             AR                      AR    6   3.35    1         0   \n",
       "25          ATR_1                     ATR    7   0.44    1         0   \n",
       "26          ATR_2                     ATR    7   0.96    1         0   \n",
       "27          ATR_4                     ATR    8   0.59    2         0   \n",
       "28           BCL2                    BCL2   11  12.39    2         3   \n",
       "29    BCL2_BCL2L1            BCL2, BCL2L1   11   9.62    4         3   \n",
       "..            ...                     ...  ...    ...  ...       ...   \n",
       "90            NAE               NAE1,NAE2  NaN    NaN  NaN       NaN   \n",
       "91          HSP90                HSP90AA1  NaN    NaN  NaN       NaN   \n",
       "92     PIK3C_MTOR             PIK3C*,MTOR  NaN    NaN  NaN       NaN   \n",
       "93    BRAF_VEGFR2             BRAF,VEGFR2  NaN    NaN  NaN       NaN   \n",
       "94         BRAF_2                    BRAF  NaN    NaN  NaN       NaN   \n",
       "95   PIK3C_MTOR_2             PIK3C*,MTOR  NaN    NaN  NaN       NaN   \n",
       "96          BIRC5                   BIRC5  NaN    NaN  NaN       NaN   \n",
       "97            TNF                    TNFA  NaN    NaN  NaN       NaN   \n",
       "98        TNFSF10                 TNFSF10  NaN    NaN  NaN       NaN   \n",
       "99          MAP2K           MAP2K1,MAP2K2  NaN    NaN  NaN       NaN   \n",
       "100          CD19           CD19 antibody  NaN    NaN  NaN       NaN   \n",
       "101    Proteasome              Proteasome  NaN    NaN  NaN       NaN   \n",
       "102        PI3KCD                  PIK3CD  NaN    NaN  NaN       NaN   \n",
       "103  Proteasome_2              Proteasome  NaN    NaN  NaN       NaN   \n",
       "104         TKI_2             VEGFR2,TIE2  NaN    NaN  NaN       NaN   \n",
       "105         MET_2                     MET  NaN    NaN  NaN       NaN   \n",
       "106        MTOR_3                    MTOR  NaN    NaN  NaN       NaN   \n",
       "107        ESR1_2                    ESR1  NaN    NaN  NaN       NaN   \n",
       "108   Chloroquine                Thiamine  NaN    NaN  NaN       NaN   \n",
       "109        ESR1_3                    ESR1  NaN    NaN  NaN       NaN   \n",
       "110          TYMS                    TYMS  NaN    NaN  NaN       NaN   \n",
       "111   Gemcitibine                Cytidine  NaN    NaN  NaN       NaN   \n",
       "112     Cisplatin                     DNA  NaN    NaN  NaN       NaN   \n",
       "113          PRKC                   PRKC*  NaN    NaN  NaN       NaN   \n",
       "114        MTOR_2                    MTOR  NaN    NaN  NaN       NaN   \n",
       "115   Azacytidine             Methylation  NaN    NaN  NaN       NaN   \n",
       "116        HDAC_4                   HDAC*  NaN    NaN  NaN       NaN   \n",
       "117    CarboTaxol                     DNA  NaN    NaN  NaN       NaN   \n",
       "118       FOLFIRI                     DNA  NaN    NaN  NaN       NaN   \n",
       "119        FOLFOX                     DNA  NaN    NaN  NaN       NaN   \n",
       "\n",
       "                                  SMILES or PubChem ID     MW  \n",
       "0                                                  NaN    NaN  \n",
       "1                                                  NaN    NaN  \n",
       "2                                                  NaN    NaN  \n",
       "3                                                  NaN    NaN  \n",
       "4                                                  NaN    NaN  \n",
       "5                                                  NaN    NaN  \n",
       "6                                                  NaN    NaN  \n",
       "7                                                  NaN    NaN  \n",
       "8                                                  NaN    NaN  \n",
       "9                                                  NaN    NaN  \n",
       "10                                                 NaN    NaN  \n",
       "11                                                 NaN    NaN  \n",
       "12                                                 NaN    NaN  \n",
       "13                                                 NaN    NaN  \n",
       "14                                                 NaN    NaN  \n",
       "15   C[C@@H]1CN(C[C@@H](O1)C)CC(=O)Nc2ccc3c(c2)Cc4c...  547.7  \n",
       "16   c1ccc2c(c1)c3cccc(c3s2)c4cccc5c4oc(cc5=O)N6CCOCC6  413.5  \n",
       "17   CCN1CCN(CC1)CC(=O)Nc2ccc(c3c2c4ccccc4s3)c5cccc...  582.7  \n",
       "18   C[C@@H]1CN(C[C@@H](N1)C)c2ccc(cc2)C(=O)Nc3cc(n...  463.6  \n",
       "19   C[C@H](c1c(ccc(c1Cl)F)Cl)Oc2cc(cnc2N)c3cnn(c3)...  450.3  \n",
       "20   c1cc(ccc1[C@H](CCO)NC(=O)C2(CCN(CC2)c3c4cc[nH]...  428.9  \n",
       "21   c1ccc(cc1)c2cc3c(ccn4c3n[nH]c4=O)nc2c5ccc(cc5)...  407.5  \n",
       "22   CN1CCN(CC1)C2CCN(CC2)c3ccc(c(c3)OC)Nc4ncc(c(n4...  532.1  \n",
       "23   COc1cc(ccc1Nc2ncc(c(n2)c3c[nH]c4c3cccc4)Cl)N5C...  449.0  \n",
       "24   CNC(=O)c1ccc(cc1F)N2C(=S)N(C(=O)C2(C)C)c3ccc(C...  464.4  \n",
       "25   CS(=O)(=O)C1(CC1)c2cc(nc(n2)c3cccc4c3cc[nH]4)N...  398.5  \n",
       "26   C[C@@H]1COCCN1c2cc(nc(n2)c3cccc4c3cc[nH]4)C5(C...  412.5  \n",
       "27   C[C@@H]1COCCN1c2cc(nc(n2)c3ccnc4c3cc[nH]4)C5(C...  412.5  \n",
       "28   CC1(CCC(=C(C1)CN2CCN(CC2)c3ccc(cc3)C(=O)NS(=O)...  974.6  \n",
       "29   CN(CC[C@H](CSc1ccccc1)Nc2ccc(cc2S(=O)(=O)C(F)(...  945.5  \n",
       "..                                                 ...    ...  \n",
       "90                                            16720766    NaN  \n",
       "91                                            11955716    NaN  \n",
       "92                                            25033539    NaN  \n",
       "93                                            11656518    NaN  \n",
       "94                                            11717001    NaN  \n",
       "95                                            49867926    NaN  \n",
       "96                                            11178236    NaN  \n",
       "97                                               60700    NaN  \n",
       "98                                                 NaN    NaN  \n",
       "99                                            11707110    NaN  \n",
       "100                                                NaN    NaN  \n",
       "101                                             387447    NaN  \n",
       "102                                           11625818    NaN  \n",
       "103                                           11556711    NaN  \n",
       "104                                           11167602    NaN  \n",
       "105                                           11494412    NaN  \n",
       "106                                           23724849    NaN  \n",
       "107                                             449459    NaN  \n",
       "108                                               2719    NaN  \n",
       "109                                            2733526    NaN  \n",
       "110                                               3385    NaN  \n",
       "111                                           66944285    NaN  \n",
       "112                                              84093    NaN  \n",
       "113                                             176167    NaN  \n",
       "114                                            6918289    NaN  \n",
       "115                                               9444    NaN  \n",
       "116                                               5311    NaN  \n",
       "117                                             441276    NaN  \n",
       "118                                           56842117    NaN  \n",
       "119                                           56842121    NaN  \n",
       "\n",
       "[120 rows x 8 columns]"
      ]
     },
     "execution_count": 207,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "drug_info"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 208,
   "metadata": {
    "collapsed": true
   },
   "outputs": [],
   "source": [
    "to_impute = drug_info.copy()\n",
    "to_impute.drop(['ChallengeName', 'Target(Official Symbol)', 'SMILES or PubChem ID'], axis=1, inplace=True)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 209,
   "metadata": {
    "collapsed": false
   },
   "outputs": [],
   "source": [
    "# imputer = Imputer(missing_values='NaN', strategy=\"mean\", axis=0)\n",
    "# imputer.fit(to_impute)\n",
    "# imputed = pd.DataFrame(imputer.transform(to_impute), columns = to_impute.columns)\n",
    "imputed = pd.DataFrame.from_csv('Combined_data/drugInfo_imputed.csv')"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 210,
   "metadata": {
    "collapsed": false,
    "scrolled": true
   },
   "outputs": [
    {
     "data": {
      "text/html": [
       "<div>\n",
       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>HBA</th>\n",
       "      <th>cLogP</th>\n",
       "      <th>HBD</th>\n",
       "      <th>Lipinski</th>\n",
       "      <th>MW</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td>4.966</td>\n",
       "      <td>2.26238</td>\n",
       "      <td>3.277</td>\n",
       "      <td>0.213</td>\n",
       "      <td>419.7429</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1</th>\n",
       "      <td>4.966</td>\n",
       "      <td>2.26238</td>\n",
       "      <td>3.277</td>\n",
       "      <td>0.213</td>\n",
       "      <td>419.7429</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2</th>\n",
       "      <td>4.966</td>\n",
       "      <td>2.26238</td>\n",
       "      <td>3.277</td>\n",
       "      <td>0.213</td>\n",
       "      <td>419.7429</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td>4.966</td>\n",
       "      <td>2.26238</td>\n",
       "      <td>3.277</td>\n",
       "      <td>0.213</td>\n",
       "      <td>419.7429</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4</th>\n",
       "      <td>4.966</td>\n",
       "      <td>2.26238</td>\n",
       "      <td>3.277</td>\n",
       "      <td>0.213</td>\n",
       "      <td>419.7429</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>5</th>\n",
       "      <td>4.966</td>\n",
       "      <td>2.26238</td>\n",
       "      <td>3.277</td>\n",
       "      <td>0.213</td>\n",
       "      <td>419.7429</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>6</th>\n",
       "      <td>4.966</td>\n",
       "      <td>2.26238</td>\n",
       "      <td>3.277</td>\n",
       "      <td>0.213</td>\n",
       "      <td>419.7429</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>7</th>\n",
       "      <td>4.966</td>\n",
       "      <td>2.26238</td>\n",
       "      <td>3.277</td>\n",
       "      <td>0.213</td>\n",
       "      <td>419.7429</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>8</th>\n",
       "      <td>4.966</td>\n",
       "      <td>2.26238</td>\n",
       "      <td>3.277</td>\n",
       "      <td>0.213</td>\n",
       "      <td>419.7429</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>9</th>\n",
       "      <td>4.966</td>\n",
       "      <td>2.26238</td>\n",
       "      <td>3.277</td>\n",
       "      <td>0.213</td>\n",
       "      <td>419.7429</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>10</th>\n",
       "      <td>4.966</td>\n",
       "      <td>2.26238</td>\n",
       "      <td>3.277</td>\n",
       "      <td>0.213</td>\n",
       "      <td>419.7429</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>11</th>\n",
       "      <td>4.966</td>\n",
       "      <td>2.26238</td>\n",
       "      <td>3.277</td>\n",
       "      <td>0.213</td>\n",
       "      <td>419.7429</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>12</th>\n",
       "      <td>4.966</td>\n",
       "      <td>2.26238</td>\n",
       "      <td>3.277</td>\n",
       "      <td>0.213</td>\n",
       "      <td>419.7429</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>13</th>\n",
       "      <td>4.966</td>\n",
       "      <td>2.26238</td>\n",
       "      <td>3.277</td>\n",
       "      <td>0.213</td>\n",
       "      <td>419.7429</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>14</th>\n",
       "      <td>4.966</td>\n",
       "      <td>2.26238</td>\n",
       "      <td>3.277</td>\n",
       "      <td>0.213</td>\n",
       "      <td>419.7429</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>15</th>\n",
       "      <td>8.000</td>\n",
       "      <td>4.28000</td>\n",
       "      <td>1.000</td>\n",
       "      <td>1.000</td>\n",
       "      <td>547.7000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>16</th>\n",
       "      <td>4.000</td>\n",
       "      <td>5.44000</td>\n",
       "      <td>0.000</td>\n",
       "      <td>1.000</td>\n",
       "      <td>413.5000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>17</th>\n",
       "      <td>8.000</td>\n",
       "      <td>4.39000</td>\n",
       "      <td>1.000</td>\n",
       "      <td>1.000</td>\n",
       "      <td>582.7000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>18</th>\n",
       "      <td>8.000</td>\n",
       "      <td>4.43000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>0.000</td>\n",
       "      <td>463.6000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>19</th>\n",
       "      <td>6.000</td>\n",
       "      <td>4.29000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>0.000</td>\n",
       "      <td>450.3000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>20</th>\n",
       "      <td>8.000</td>\n",
       "      <td>1.18000</td>\n",
       "      <td>5.000</td>\n",
       "      <td>0.000</td>\n",
       "      <td>428.9000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>21</th>\n",
       "      <td>6.000</td>\n",
       "      <td>3.24000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>0.000</td>\n",
       "      <td>407.5000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>22</th>\n",
       "      <td>8.000</td>\n",
       "      <td>3.89000</td>\n",
       "      <td>2.000</td>\n",
       "      <td>1.000</td>\n",
       "      <td>532.1000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>23</th>\n",
       "      <td>7.000</td>\n",
       "      <td>4.08000</td>\n",
       "      <td>4.000</td>\n",
       "      <td>0.000</td>\n",
       "      <td>449.0000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>24</th>\n",
       "      <td>6.000</td>\n",
       "      <td>3.35000</td>\n",
       "      <td>1.000</td>\n",
       "      <td>0.000</td>\n",
       "      <td>464.4000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>25</th>\n",
       "      <td>7.000</td>\n",
       "      <td>0.44000</td>\n",
       "      <td>1.000</td>\n",
       "      <td>0.000</td>\n",
       "      <td>398.5000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>26</th>\n",
       "      <td>7.000</td>\n",
       "      <td>0.96000</td>\n",
       "      <td>1.000</td>\n",
       "      <td>0.000</td>\n",
       "      <td>412.5000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>27</th>\n",
       "      <td>8.000</td>\n",
       "      <td>0.59000</td>\n",
       "      <td>2.000</td>\n",
       "      <td>0.000</td>\n",
       "      <td>412.5000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>28</th>\n",
       "      <td>11.000</td>\n",
       "      <td>12.39000</td>\n",
       "      <td>2.000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>974.6000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>29</th>\n",
       "      <td>11.000</td>\n",
       "      <td>9.62000</td>\n",
       "      <td>4.000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>945.5000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>...</th>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>90</th>\n",
       "      <td>5.079</td>\n",
       "      <td>1.25780</td>\n",
       "      <td>3.010</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>91</th>\n",
       "      <td>5.079</td>\n",
       "      <td>1.25780</td>\n",
       "      <td>3.010</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>92</th>\n",
       "      <td>5.079</td>\n",
       "      <td>1.25780</td>\n",
       "      <td>3.010</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>93</th>\n",
       "      <td>5.079</td>\n",
       "      <td>1.25780</td>\n",
       "      <td>3.010</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>94</th>\n",
       "      <td>5.079</td>\n",
       "      <td>1.25780</td>\n",
       "      <td>3.010</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>95</th>\n",
       "      <td>5.079</td>\n",
       "      <td>1.25780</td>\n",
       "      <td>3.010</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>96</th>\n",
       "      <td>5.079</td>\n",
       "      <td>1.25780</td>\n",
       "      <td>3.010</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>97</th>\n",
       "      <td>5.079</td>\n",
       "      <td>1.25780</td>\n",
       "      <td>3.010</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>98</th>\n",
       "      <td>5.079</td>\n",
       "      <td>1.25780</td>\n",
       "      <td>3.010</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>99</th>\n",
       "      <td>5.079</td>\n",
       "      <td>1.25780</td>\n",
       "      <td>3.010</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>100</th>\n",
       "      <td>5.079</td>\n",
       "      <td>1.25780</td>\n",
       "      <td>3.010</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>101</th>\n",
       "      <td>5.079</td>\n",
       "      <td>1.25780</td>\n",
       "      <td>3.010</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>102</th>\n",
       "      <td>5.079</td>\n",
       "      <td>1.25780</td>\n",
       "      <td>3.010</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>103</th>\n",
       "      <td>5.079</td>\n",
       "      <td>1.25780</td>\n",
       "      <td>3.010</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>104</th>\n",
       "      <td>5.079</td>\n",
       "      <td>1.25780</td>\n",
       "      <td>3.010</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>105</th>\n",
       "      <td>5.079</td>\n",
       "      <td>1.25780</td>\n",
       "      <td>3.010</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>106</th>\n",
       "      <td>5.079</td>\n",
       "      <td>1.25780</td>\n",
       "      <td>3.010</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>107</th>\n",
       "      <td>5.079</td>\n",
       "      <td>1.25780</td>\n",
       "      <td>3.010</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>108</th>\n",
       "      <td>5.079</td>\n",
       "      <td>1.25780</td>\n",
       "      <td>3.010</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>109</th>\n",
       "      <td>5.079</td>\n",
       "      <td>1.25780</td>\n",
       "      <td>3.010</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>110</th>\n",
       "      <td>5.079</td>\n",
       "      <td>1.25780</td>\n",
       "      <td>3.010</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>111</th>\n",
       "      <td>5.079</td>\n",
       "      <td>1.25780</td>\n",
       "      <td>3.010</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>112</th>\n",
       "      <td>5.079</td>\n",
       "      <td>1.25780</td>\n",
       "      <td>3.010</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>113</th>\n",
       "      <td>5.079</td>\n",
       "      <td>1.25780</td>\n",
       "      <td>3.010</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>114</th>\n",
       "      <td>5.079</td>\n",
       "      <td>1.25780</td>\n",
       "      <td>3.010</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>115</th>\n",
       "      <td>5.079</td>\n",
       "      <td>1.25780</td>\n",
       "      <td>3.010</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>116</th>\n",
       "      <td>5.079</td>\n",
       "      <td>1.25780</td>\n",
       "      <td>3.010</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>117</th>\n",
       "      <td>5.079</td>\n",
       "      <td>1.25780</td>\n",
       "      <td>3.010</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>118</th>\n",
       "      <td>5.079</td>\n",
       "      <td>1.25780</td>\n",
       "      <td>3.010</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>119</th>\n",
       "      <td>5.079</td>\n",
       "      <td>1.25780</td>\n",
       "      <td>3.010</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "<p>120 rows × 5 columns</p>\n",
       "</div>"
      ],
      "text/plain": [
       "        HBA     cLogP    HBD  Lipinski        MW\n",
       "0     4.966   2.26238  3.277     0.213  419.7429\n",
       "1     4.966   2.26238  3.277     0.213  419.7429\n",
       "2     4.966   2.26238  3.277     0.213  419.7429\n",
       "3     4.966   2.26238  3.277     0.213  419.7429\n",
       "4     4.966   2.26238  3.277     0.213  419.7429\n",
       "5     4.966   2.26238  3.277     0.213  419.7429\n",
       "6     4.966   2.26238  3.277     0.213  419.7429\n",
       "7     4.966   2.26238  3.277     0.213  419.7429\n",
       "8     4.966   2.26238  3.277     0.213  419.7429\n",
       "9     4.966   2.26238  3.277     0.213  419.7429\n",
       "10    4.966   2.26238  3.277     0.213  419.7429\n",
       "11    4.966   2.26238  3.277     0.213  419.7429\n",
       "12    4.966   2.26238  3.277     0.213  419.7429\n",
       "13    4.966   2.26238  3.277     0.213  419.7429\n",
       "14    4.966   2.26238  3.277     0.213  419.7429\n",
       "15    8.000   4.28000  1.000     1.000  547.7000\n",
       "16    4.000   5.44000  0.000     1.000  413.5000\n",
       "17    8.000   4.39000  1.000     1.000  582.7000\n",
       "18    8.000   4.43000  3.000     0.000  463.6000\n",
       "19    6.000   4.29000  3.000     0.000  450.3000\n",
       "20    8.000   1.18000  5.000     0.000  428.9000\n",
       "21    6.000   3.24000  3.000     0.000  407.5000\n",
       "22    8.000   3.89000  2.000     1.000  532.1000\n",
       "23    7.000   4.08000  4.000     0.000  449.0000\n",
       "24    6.000   3.35000  1.000     0.000  464.4000\n",
       "25    7.000   0.44000  1.000     0.000  398.5000\n",
       "26    7.000   0.96000  1.000     0.000  412.5000\n",
       "27    8.000   0.59000  2.000     0.000  412.5000\n",
       "28   11.000  12.39000  2.000     3.000  974.6000\n",
       "29   11.000   9.62000  4.000     3.000  945.5000\n",
       "..      ...       ...    ...       ...       ...\n",
       "90    5.079   1.25780  3.010     0.099  402.4961\n",
       "91    5.079   1.25780  3.010     0.099  402.4961\n",
       "92    5.079   1.25780  3.010     0.099  402.4961\n",
       "93    5.079   1.25780  3.010     0.099  402.4961\n",
       "94    5.079   1.25780  3.010     0.099  402.4961\n",
       "95    5.079   1.25780  3.010     0.099  402.4961\n",
       "96    5.079   1.25780  3.010     0.099  402.4961\n",
       "97    5.079   1.25780  3.010     0.099  402.4961\n",
       "98    5.079   1.25780  3.010     0.099  402.4961\n",
       "99    5.079   1.25780  3.010     0.099  402.4961\n",
       "100   5.079   1.25780  3.010     0.099  402.4961\n",
       "101   5.079   1.25780  3.010     0.099  402.4961\n",
       "102   5.079   1.25780  3.010     0.099  402.4961\n",
       "103   5.079   1.25780  3.010     0.099  402.4961\n",
       "104   5.079   1.25780  3.010     0.099  402.4961\n",
       "105   5.079   1.25780  3.010     0.099  402.4961\n",
       "106   5.079   1.25780  3.010     0.099  402.4961\n",
       "107   5.079   1.25780  3.010     0.099  402.4961\n",
       "108   5.079   1.25780  3.010     0.099  402.4961\n",
       "109   5.079   1.25780  3.010     0.099  402.4961\n",
       "110   5.079   1.25780  3.010     0.099  402.4961\n",
       "111   5.079   1.25780  3.010     0.099  402.4961\n",
       "112   5.079   1.25780  3.010     0.099  402.4961\n",
       "113   5.079   1.25780  3.010     0.099  402.4961\n",
       "114   5.079   1.25780  3.010     0.099  402.4961\n",
       "115   5.079   1.25780  3.010     0.099  402.4961\n",
       "116   5.079   1.25780  3.010     0.099  402.4961\n",
       "117   5.079   1.25780  3.010     0.099  402.4961\n",
       "118   5.079   1.25780  3.010     0.099  402.4961\n",
       "119   5.079   1.25780  3.010     0.099  402.4961\n",
       "\n",
       "[120 rows x 5 columns]"
      ]
     },
     "execution_count": 210,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "imputed"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 211,
   "metadata": {
    "collapsed": false
   },
   "outputs": [],
   "source": [
    "full_drug_info = pd.concat([drug_info[['ChallengeName', 'Target(Official Symbol)']], imputed], axis=1)\n",
    "full_drug_info.set_index('ChallengeName', inplace=True)\n",
    "full_drug_info.index.name = None"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 212,
   "metadata": {
    "collapsed": false,
    "scrolled": true
   },
   "outputs": [
    {
     "data": {
      "text/html": [
       "<div>\n",
       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>Target(Official Symbol)</th>\n",
       "      <th>HBA</th>\n",
       "      <th>cLogP</th>\n",
       "      <th>HBD</th>\n",
       "      <th>Lipinski</th>\n",
       "      <th>MW</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>ALK_2</th>\n",
       "      <td>ALK</td>\n",
       "      <td>4.966</td>\n",
       "      <td>2.26238</td>\n",
       "      <td>3.277</td>\n",
       "      <td>0.213</td>\n",
       "      <td>419.7429</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>ATR_3</th>\n",
       "      <td>ATR</td>\n",
       "      <td>4.966</td>\n",
       "      <td>2.26238</td>\n",
       "      <td>3.277</td>\n",
       "      <td>0.213</td>\n",
       "      <td>419.7429</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>BCL2_2</th>\n",
       "      <td>BCL2</td>\n",
       "      <td>4.966</td>\n",
       "      <td>2.26238</td>\n",
       "      <td>3.277</td>\n",
       "      <td>0.213</td>\n",
       "      <td>419.7429</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AKT_SGK</th>\n",
       "      <td>AKT*,SGK*</td>\n",
       "      <td>4.966</td>\n",
       "      <td>2.26238</td>\n",
       "      <td>3.277</td>\n",
       "      <td>0.213</td>\n",
       "      <td>419.7429</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>IAP</th>\n",
       "      <td>NIAP,XIAP,BIRC2,BIRC3</td>\n",
       "      <td>4.966</td>\n",
       "      <td>2.26238</td>\n",
       "      <td>3.277</td>\n",
       "      <td>0.213</td>\n",
       "      <td>419.7429</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>IAP_2</th>\n",
       "      <td>NIAP,XIAP,BIRC2,BIRC3</td>\n",
       "      <td>4.966</td>\n",
       "      <td>2.26238</td>\n",
       "      <td>3.277</td>\n",
       "      <td>0.213</td>\n",
       "      <td>419.7429</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>SLC16A4</th>\n",
       "      <td>SLC16A3,SLC16A4</td>\n",
       "      <td>4.966</td>\n",
       "      <td>2.26238</td>\n",
       "      <td>3.277</td>\n",
       "      <td>0.213</td>\n",
       "      <td>419.7429</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TNKS_PARP6</th>\n",
       "      <td>TNKS, PARP6</td>\n",
       "      <td>4.966</td>\n",
       "      <td>2.26238</td>\n",
       "      <td>3.277</td>\n",
       "      <td>0.213</td>\n",
       "      <td>419.7429</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>PIK3CA_2</th>\n",
       "      <td>PIK3CA</td>\n",
       "      <td>4.966</td>\n",
       "      <td>2.26238</td>\n",
       "      <td>3.277</td>\n",
       "      <td>0.213</td>\n",
       "      <td>419.7429</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>PIK3CA_3</th>\n",
       "      <td>PIK3CA</td>\n",
       "      <td>4.966</td>\n",
       "      <td>2.26238</td>\n",
       "      <td>3.277</td>\n",
       "      <td>0.213</td>\n",
       "      <td>419.7429</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>PIK3CB</th>\n",
       "      <td>PIK3CB</td>\n",
       "      <td>4.966</td>\n",
       "      <td>2.26238</td>\n",
       "      <td>3.277</td>\n",
       "      <td>0.213</td>\n",
       "      <td>419.7429</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>PIP5K1</th>\n",
       "      <td>PIP5K1*</td>\n",
       "      <td>4.966</td>\n",
       "      <td>2.26238</td>\n",
       "      <td>3.277</td>\n",
       "      <td>0.213</td>\n",
       "      <td>419.7429</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>ESR1</th>\n",
       "      <td>ESR1</td>\n",
       "      <td>4.966</td>\n",
       "      <td>2.26238</td>\n",
       "      <td>3.277</td>\n",
       "      <td>0.213</td>\n",
       "      <td>419.7429</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>WNT</th>\n",
       "      <td>WNT*,TNKS</td>\n",
       "      <td>4.966</td>\n",
       "      <td>2.26238</td>\n",
       "      <td>3.277</td>\n",
       "      <td>0.213</td>\n",
       "      <td>419.7429</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>FGFR4</th>\n",
       "      <td>FGFR4</td>\n",
       "      <td>4.966</td>\n",
       "      <td>2.26238</td>\n",
       "      <td>3.277</td>\n",
       "      <td>0.213</td>\n",
       "      <td>419.7429</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>ATM</th>\n",
       "      <td>ATM</td>\n",
       "      <td>8.000</td>\n",
       "      <td>4.28000</td>\n",
       "      <td>1.000</td>\n",
       "      <td>1.000</td>\n",
       "      <td>547.7000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TOP2</th>\n",
       "      <td>TOP2*,PRKDC</td>\n",
       "      <td>4.000</td>\n",
       "      <td>5.44000</td>\n",
       "      <td>0.000</td>\n",
       "      <td>1.000</td>\n",
       "      <td>413.5000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>PRKDC_2</th>\n",
       "      <td>PRKDC</td>\n",
       "      <td>8.000</td>\n",
       "      <td>4.39000</td>\n",
       "      <td>1.000</td>\n",
       "      <td>1.000</td>\n",
       "      <td>582.7000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>FGFR</th>\n",
       "      <td>FGFR1, FGFR2, FGFR3</td>\n",
       "      <td>8.000</td>\n",
       "      <td>4.43000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>0.000</td>\n",
       "      <td>463.6000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>MET_ALK</th>\n",
       "      <td>cMET, ALK</td>\n",
       "      <td>6.000</td>\n",
       "      <td>4.29000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>0.000</td>\n",
       "      <td>450.3000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AKT</th>\n",
       "      <td>AKT1, AKT2, AKT3</td>\n",
       "      <td>8.000</td>\n",
       "      <td>1.18000</td>\n",
       "      <td>5.000</td>\n",
       "      <td>0.000</td>\n",
       "      <td>428.9000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AKT_1</th>\n",
       "      <td>AKT*</td>\n",
       "      <td>6.000</td>\n",
       "      <td>3.24000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>0.000</td>\n",
       "      <td>407.5000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>ALK</th>\n",
       "      <td>ALK</td>\n",
       "      <td>8.000</td>\n",
       "      <td>3.89000</td>\n",
       "      <td>2.000</td>\n",
       "      <td>1.000</td>\n",
       "      <td>532.1000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>ALK_IGFR</th>\n",
       "      <td>ALK, IGF*R</td>\n",
       "      <td>7.000</td>\n",
       "      <td>4.08000</td>\n",
       "      <td>4.000</td>\n",
       "      <td>0.000</td>\n",
       "      <td>449.0000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AR</th>\n",
       "      <td>AR</td>\n",
       "      <td>6.000</td>\n",
       "      <td>3.35000</td>\n",
       "      <td>1.000</td>\n",
       "      <td>0.000</td>\n",
       "      <td>464.4000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>ATR_1</th>\n",
       "      <td>ATR</td>\n",
       "      <td>7.000</td>\n",
       "      <td>0.44000</td>\n",
       "      <td>1.000</td>\n",
       "      <td>0.000</td>\n",
       "      <td>398.5000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>ATR_2</th>\n",
       "      <td>ATR</td>\n",
       "      <td>7.000</td>\n",
       "      <td>0.96000</td>\n",
       "      <td>1.000</td>\n",
       "      <td>0.000</td>\n",
       "      <td>412.5000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>ATR_4</th>\n",
       "      <td>ATR</td>\n",
       "      <td>8.000</td>\n",
       "      <td>0.59000</td>\n",
       "      <td>2.000</td>\n",
       "      <td>0.000</td>\n",
       "      <td>412.5000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>BCL2</th>\n",
       "      <td>BCL2</td>\n",
       "      <td>11.000</td>\n",
       "      <td>12.39000</td>\n",
       "      <td>2.000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>974.6000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>BCL2_BCL2L1</th>\n",
       "      <td>BCL2, BCL2L1</td>\n",
       "      <td>11.000</td>\n",
       "      <td>9.62000</td>\n",
       "      <td>4.000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>945.5000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>...</th>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>NAE</th>\n",
       "      <td>NAE1,NAE2</td>\n",
       "      <td>5.079</td>\n",
       "      <td>1.25780</td>\n",
       "      <td>3.010</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>HSP90</th>\n",
       "      <td>HSP90AA1</td>\n",
       "      <td>5.079</td>\n",
       "      <td>1.25780</td>\n",
       "      <td>3.010</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>PIK3C_MTOR</th>\n",
       "      <td>PIK3C*,MTOR</td>\n",
       "      <td>5.079</td>\n",
       "      <td>1.25780</td>\n",
       "      <td>3.010</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>BRAF_VEGFR2</th>\n",
       "      <td>BRAF,VEGFR2</td>\n",
       "      <td>5.079</td>\n",
       "      <td>1.25780</td>\n",
       "      <td>3.010</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>BRAF_2</th>\n",
       "      <td>BRAF</td>\n",
       "      <td>5.079</td>\n",
       "      <td>1.25780</td>\n",
       "      <td>3.010</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>PIK3C_MTOR_2</th>\n",
       "      <td>PIK3C*,MTOR</td>\n",
       "      <td>5.079</td>\n",
       "      <td>1.25780</td>\n",
       "      <td>3.010</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>BIRC5</th>\n",
       "      <td>BIRC5</td>\n",
       "      <td>5.079</td>\n",
       "      <td>1.25780</td>\n",
       "      <td>3.010</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TNF</th>\n",
       "      <td>TNFA</td>\n",
       "      <td>5.079</td>\n",
       "      <td>1.25780</td>\n",
       "      <td>3.010</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TNFSF10</th>\n",
       "      <td>TNFSF10</td>\n",
       "      <td>5.079</td>\n",
       "      <td>1.25780</td>\n",
       "      <td>3.010</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>MAP2K</th>\n",
       "      <td>MAP2K1,MAP2K2</td>\n",
       "      <td>5.079</td>\n",
       "      <td>1.25780</td>\n",
       "      <td>3.010</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>CD19</th>\n",
       "      <td>CD19 antibody</td>\n",
       "      <td>5.079</td>\n",
       "      <td>1.25780</td>\n",
       "      <td>3.010</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>Proteasome</th>\n",
       "      <td>Proteasome</td>\n",
       "      <td>5.079</td>\n",
       "      <td>1.25780</td>\n",
       "      <td>3.010</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>PI3KCD</th>\n",
       "      <td>PIK3CD</td>\n",
       "      <td>5.079</td>\n",
       "      <td>1.25780</td>\n",
       "      <td>3.010</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>Proteasome_2</th>\n",
       "      <td>Proteasome</td>\n",
       "      <td>5.079</td>\n",
       "      <td>1.25780</td>\n",
       "      <td>3.010</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TKI_2</th>\n",
       "      <td>VEGFR2,TIE2</td>\n",
       "      <td>5.079</td>\n",
       "      <td>1.25780</td>\n",
       "      <td>3.010</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>MET_2</th>\n",
       "      <td>MET</td>\n",
       "      <td>5.079</td>\n",
       "      <td>1.25780</td>\n",
       "      <td>3.010</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>MTOR_3</th>\n",
       "      <td>MTOR</td>\n",
       "      <td>5.079</td>\n",
       "      <td>1.25780</td>\n",
       "      <td>3.010</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>ESR1_2</th>\n",
       "      <td>ESR1</td>\n",
       "      <td>5.079</td>\n",
       "      <td>1.25780</td>\n",
       "      <td>3.010</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>Chloroquine</th>\n",
       "      <td>Thiamine</td>\n",
       "      <td>5.079</td>\n",
       "      <td>1.25780</td>\n",
       "      <td>3.010</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>ESR1_3</th>\n",
       "      <td>ESR1</td>\n",
       "      <td>5.079</td>\n",
       "      <td>1.25780</td>\n",
       "      <td>3.010</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TYMS</th>\n",
       "      <td>TYMS</td>\n",
       "      <td>5.079</td>\n",
       "      <td>1.25780</td>\n",
       "      <td>3.010</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>Gemcitibine</th>\n",
       "      <td>Cytidine</td>\n",
       "      <td>5.079</td>\n",
       "      <td>1.25780</td>\n",
       "      <td>3.010</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>Cisplatin</th>\n",
       "      <td>DNA</td>\n",
       "      <td>5.079</td>\n",
       "      <td>1.25780</td>\n",
       "      <td>3.010</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>PRKC</th>\n",
       "      <td>PRKC*</td>\n",
       "      <td>5.079</td>\n",
       "      <td>1.25780</td>\n",
       "      <td>3.010</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>MTOR_2</th>\n",
       "      <td>MTOR</td>\n",
       "      <td>5.079</td>\n",
       "      <td>1.25780</td>\n",
       "      <td>3.010</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>Azacytidine</th>\n",
       "      <td>Methylation</td>\n",
       "      <td>5.079</td>\n",
       "      <td>1.25780</td>\n",
       "      <td>3.010</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>HDAC_4</th>\n",
       "      <td>HDAC*</td>\n",
       "      <td>5.079</td>\n",
       "      <td>1.25780</td>\n",
       "      <td>3.010</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>CarboTaxol</th>\n",
       "      <td>DNA</td>\n",
       "      <td>5.079</td>\n",
       "      <td>1.25780</td>\n",
       "      <td>3.010</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>FOLFIRI</th>\n",
       "      <td>DNA</td>\n",
       "      <td>5.079</td>\n",
       "      <td>1.25780</td>\n",
       "      <td>3.010</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>FOLFOX</th>\n",
       "      <td>DNA</td>\n",
       "      <td>5.079</td>\n",
       "      <td>1.25780</td>\n",
       "      <td>3.010</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "<p>120 rows × 6 columns</p>\n",
       "</div>"
      ],
      "text/plain": [
       "             Target(Official Symbol)     HBA     cLogP    HBD  Lipinski  \\\n",
       "ALK_2                            ALK   4.966   2.26238  3.277     0.213   \n",
       "ATR_3                            ATR   4.966   2.26238  3.277     0.213   \n",
       "BCL2_2                          BCL2   4.966   2.26238  3.277     0.213   \n",
       "AKT_SGK                    AKT*,SGK*   4.966   2.26238  3.277     0.213   \n",
       "IAP            NIAP,XIAP,BIRC2,BIRC3   4.966   2.26238  3.277     0.213   \n",
       "IAP_2          NIAP,XIAP,BIRC2,BIRC3   4.966   2.26238  3.277     0.213   \n",
       "SLC16A4              SLC16A3,SLC16A4   4.966   2.26238  3.277     0.213   \n",
       "TNKS_PARP6               TNKS, PARP6   4.966   2.26238  3.277     0.213   \n",
       "PIK3CA_2                      PIK3CA   4.966   2.26238  3.277     0.213   \n",
       "PIK3CA_3                      PIK3CA   4.966   2.26238  3.277     0.213   \n",
       "PIK3CB                        PIK3CB   4.966   2.26238  3.277     0.213   \n",
       "PIP5K1                       PIP5K1*   4.966   2.26238  3.277     0.213   \n",
       "ESR1                            ESR1   4.966   2.26238  3.277     0.213   \n",
       "WNT                        WNT*,TNKS   4.966   2.26238  3.277     0.213   \n",
       "FGFR4                          FGFR4   4.966   2.26238  3.277     0.213   \n",
       "ATM                              ATM   8.000   4.28000  1.000     1.000   \n",
       "TOP2                     TOP2*,PRKDC   4.000   5.44000  0.000     1.000   \n",
       "PRKDC_2                        PRKDC   8.000   4.39000  1.000     1.000   \n",
       "FGFR             FGFR1, FGFR2, FGFR3   8.000   4.43000  3.000     0.000   \n",
       "MET_ALK                    cMET, ALK   6.000   4.29000  3.000     0.000   \n",
       "AKT                 AKT1, AKT2, AKT3   8.000   1.18000  5.000     0.000   \n",
       "AKT_1                           AKT*   6.000   3.24000  3.000     0.000   \n",
       "ALK                              ALK   8.000   3.89000  2.000     1.000   \n",
       "ALK_IGFR                  ALK, IGF*R   7.000   4.08000  4.000     0.000   \n",
       "AR                                AR   6.000   3.35000  1.000     0.000   \n",
       "ATR_1                            ATR   7.000   0.44000  1.000     0.000   \n",
       "ATR_2                            ATR   7.000   0.96000  1.000     0.000   \n",
       "ATR_4                            ATR   8.000   0.59000  2.000     0.000   \n",
       "BCL2                            BCL2  11.000  12.39000  2.000     3.000   \n",
       "BCL2_BCL2L1             BCL2, BCL2L1  11.000   9.62000  4.000     3.000   \n",
       "...                              ...     ...       ...    ...       ...   \n",
       "NAE                        NAE1,NAE2   5.079   1.25780  3.010     0.099   \n",
       "HSP90                       HSP90AA1   5.079   1.25780  3.010     0.099   \n",
       "PIK3C_MTOR               PIK3C*,MTOR   5.079   1.25780  3.010     0.099   \n",
       "BRAF_VEGFR2              BRAF,VEGFR2   5.079   1.25780  3.010     0.099   \n",
       "BRAF_2                          BRAF   5.079   1.25780  3.010     0.099   \n",
       "PIK3C_MTOR_2             PIK3C*,MTOR   5.079   1.25780  3.010     0.099   \n",
       "BIRC5                          BIRC5   5.079   1.25780  3.010     0.099   \n",
       "TNF                             TNFA   5.079   1.25780  3.010     0.099   \n",
       "TNFSF10                      TNFSF10   5.079   1.25780  3.010     0.099   \n",
       "MAP2K                  MAP2K1,MAP2K2   5.079   1.25780  3.010     0.099   \n",
       "CD19                   CD19 antibody   5.079   1.25780  3.010     0.099   \n",
       "Proteasome                Proteasome   5.079   1.25780  3.010     0.099   \n",
       "PI3KCD                        PIK3CD   5.079   1.25780  3.010     0.099   \n",
       "Proteasome_2              Proteasome   5.079   1.25780  3.010     0.099   \n",
       "TKI_2                    VEGFR2,TIE2   5.079   1.25780  3.010     0.099   \n",
       "MET_2                            MET   5.079   1.25780  3.010     0.099   \n",
       "MTOR_3                          MTOR   5.079   1.25780  3.010     0.099   \n",
       "ESR1_2                          ESR1   5.079   1.25780  3.010     0.099   \n",
       "Chloroquine                 Thiamine   5.079   1.25780  3.010     0.099   \n",
       "ESR1_3                          ESR1   5.079   1.25780  3.010     0.099   \n",
       "TYMS                            TYMS   5.079   1.25780  3.010     0.099   \n",
       "Gemcitibine                 Cytidine   5.079   1.25780  3.010     0.099   \n",
       "Cisplatin                        DNA   5.079   1.25780  3.010     0.099   \n",
       "PRKC                           PRKC*   5.079   1.25780  3.010     0.099   \n",
       "MTOR_2                          MTOR   5.079   1.25780  3.010     0.099   \n",
       "Azacytidine              Methylation   5.079   1.25780  3.010     0.099   \n",
       "HDAC_4                         HDAC*   5.079   1.25780  3.010     0.099   \n",
       "CarboTaxol                       DNA   5.079   1.25780  3.010     0.099   \n",
       "FOLFIRI                          DNA   5.079   1.25780  3.010     0.099   \n",
       "FOLFOX                           DNA   5.079   1.25780  3.010     0.099   \n",
       "\n",
       "                    MW  \n",
       "ALK_2         419.7429  \n",
       "ATR_3         419.7429  \n",
       "BCL2_2        419.7429  \n",
       "AKT_SGK       419.7429  \n",
       "IAP           419.7429  \n",
       "IAP_2         419.7429  \n",
       "SLC16A4       419.7429  \n",
       "TNKS_PARP6    419.7429  \n",
       "PIK3CA_2      419.7429  \n",
       "PIK3CA_3      419.7429  \n",
       "PIK3CB        419.7429  \n",
       "PIP5K1        419.7429  \n",
       "ESR1          419.7429  \n",
       "WNT           419.7429  \n",
       "FGFR4         419.7429  \n",
       "ATM           547.7000  \n",
       "TOP2          413.5000  \n",
       "PRKDC_2       582.7000  \n",
       "FGFR          463.6000  \n",
       "MET_ALK       450.3000  \n",
       "AKT           428.9000  \n",
       "AKT_1         407.5000  \n",
       "ALK           532.1000  \n",
       "ALK_IGFR      449.0000  \n",
       "AR            464.4000  \n",
       "ATR_1         398.5000  \n",
       "ATR_2         412.5000  \n",
       "ATR_4         412.5000  \n",
       "BCL2          974.6000  \n",
       "BCL2_BCL2L1   945.5000  \n",
       "...                ...  \n",
       "NAE           402.4961  \n",
       "HSP90         402.4961  \n",
       "PIK3C_MTOR    402.4961  \n",
       "BRAF_VEGFR2   402.4961  \n",
       "BRAF_2        402.4961  \n",
       "PIK3C_MTOR_2  402.4961  \n",
       "BIRC5         402.4961  \n",
       "TNF           402.4961  \n",
       "TNFSF10       402.4961  \n",
       "MAP2K         402.4961  \n",
       "CD19          402.4961  \n",
       "Proteasome    402.4961  \n",
       "PI3KCD        402.4961  \n",
       "Proteasome_2  402.4961  \n",
       "TKI_2         402.4961  \n",
       "MET_2         402.4961  \n",
       "MTOR_3        402.4961  \n",
       "ESR1_2        402.4961  \n",
       "Chloroquine   402.4961  \n",
       "ESR1_3        402.4961  \n",
       "TYMS          402.4961  \n",
       "Gemcitibine   402.4961  \n",
       "Cisplatin     402.4961  \n",
       "PRKC          402.4961  \n",
       "MTOR_2        402.4961  \n",
       "Azacytidine   402.4961  \n",
       "HDAC_4        402.4961  \n",
       "CarboTaxol    402.4961  \n",
       "FOLFIRI       402.4961  \n",
       "FOLFOX        402.4961  \n",
       "\n",
       "[120 rows x 6 columns]"
      ]
     },
     "execution_count": 212,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "full_drug_info"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "Note: should replace IGF\\*R with IGF1R or IGF2R?"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 213,
   "metadata": {
    "collapsed": false
   },
   "outputs": [],
   "source": [
    "full_drug_info['Target(Official Symbol)'] = full_drug_info['Target(Official Symbol)'].str.replace('*', '')\n",
    "full_drug_info['Target(Official Symbol)'] = full_drug_info['Target(Official Symbol)'].str.replace(' ', '')\n",
    "full_drug_info['Target(Official Symbol)'] = full_drug_info['Target(Official Symbol)'].str.replace('IGFR', 'IGF*R')"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 214,
   "metadata": {
    "collapsed": false,
    "scrolled": true
   },
   "outputs": [
    {
     "data": {
      "text/plain": [
       "ALK_2                             ALK\n",
       "ATR_3                             ATR\n",
       "BCL2_2                           BCL2\n",
       "AKT_SGK                       AKT,SGK\n",
       "IAP             NIAP,XIAP,BIRC2,BIRC3\n",
       "IAP_2           NIAP,XIAP,BIRC2,BIRC3\n",
       "SLC16A4               SLC16A3,SLC16A4\n",
       "TNKS_PARP6                 TNKS,PARP6\n",
       "PIK3CA_2                       PIK3CA\n",
       "PIK3CA_3                       PIK3CA\n",
       "PIK3CB                         PIK3CB\n",
       "PIP5K1                         PIP5K1\n",
       "ESR1                             ESR1\n",
       "WNT                          WNT,TNKS\n",
       "FGFR4                           FGFR4\n",
       "ATM                               ATM\n",
       "TOP2                       TOP2,PRKDC\n",
       "PRKDC_2                         PRKDC\n",
       "FGFR                FGFR1,FGFR2,FGFR3\n",
       "MET_ALK                      cMET,ALK\n",
       "AKT                    AKT1,AKT2,AKT3\n",
       "AKT_1                             AKT\n",
       "ALK                               ALK\n",
       "ALK_IGFR                    ALK,IGF*R\n",
       "AR                                 AR\n",
       "ATR_1                             ATR\n",
       "ATR_2                             ATR\n",
       "ATR_4                             ATR\n",
       "BCL2                             BCL2\n",
       "BCL2_BCL2L1               BCL2,BCL2L1\n",
       "                        ...          \n",
       "NAE                         NAE1,NAE2\n",
       "HSP90                        HSP90AA1\n",
       "PIK3C_MTOR                 PIK3C,MTOR\n",
       "BRAF_VEGFR2               BRAF,VEGFR2\n",
       "BRAF_2                           BRAF\n",
       "PIK3C_MTOR_2               PIK3C,MTOR\n",
       "BIRC5                           BIRC5\n",
       "TNF                              TNFA\n",
       "TNFSF10                       TNFSF10\n",
       "MAP2K                   MAP2K1,MAP2K2\n",
       "CD19                     CD19antibody\n",
       "Proteasome                 Proteasome\n",
       "PI3KCD                         PIK3CD\n",
       "Proteasome_2               Proteasome\n",
       "TKI_2                     VEGFR2,TIE2\n",
       "MET_2                             MET\n",
       "MTOR_3                           MTOR\n",
       "ESR1_2                           ESR1\n",
       "Chloroquine                  Thiamine\n",
       "ESR1_3                           ESR1\n",
       "TYMS                             TYMS\n",
       "Gemcitibine                  Cytidine\n",
       "Cisplatin                         DNA\n",
       "PRKC                             PRKC\n",
       "MTOR_2                           MTOR\n",
       "Azacytidine               Methylation\n",
       "HDAC_4                           HDAC\n",
       "CarboTaxol                        DNA\n",
       "FOLFIRI                           DNA\n",
       "FOLFOX                            DNA\n",
       "Name: Target(Official Symbol), dtype: object"
      ]
     },
     "execution_count": 214,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "full_drug_info['Target(Official Symbol)']"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 215,
   "metadata": {
    "collapsed": false,
    "scrolled": false
   },
   "outputs": [],
   "source": [
    "targets = full_drug_info['Target(Official Symbol)'].str.get_dummies(sep=',')\n",
    "targets.rename(columns=lambda t: 'Targets_'+t, inplace=True)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 216,
   "metadata": {
    "collapsed": false,
    "scrolled": true
   },
   "outputs": [
    {
     "data": {
      "text/html": [
       "<div>\n",
       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>Targets_ADAM17</th>\n",
       "      <th>Targets_AKT</th>\n",
       "      <th>Targets_AKT1</th>\n",
       "      <th>Targets_AKT2</th>\n",
       "      <th>Targets_AKT3</th>\n",
       "      <th>Targets_ALK</th>\n",
       "      <th>Targets_AR</th>\n",
       "      <th>Targets_ATM</th>\n",
       "      <th>Targets_ATR</th>\n",
       "      <th>Targets_BCL2</th>\n",
       "      <th>...</th>\n",
       "      <th>Targets_TUBB</th>\n",
       "      <th>Targets_TUBB1</th>\n",
       "      <th>Targets_TYMS</th>\n",
       "      <th>Targets_Thiamine</th>\n",
       "      <th>Targets_VEGFR2</th>\n",
       "      <th>Targets_WEE1</th>\n",
       "      <th>Targets_WNT</th>\n",
       "      <th>Targets_XIAP</th>\n",
       "      <th>Targets_cMET</th>\n",
       "      <th>Targets_microtubule</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>ALK_2</th>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>1</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>...</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>ATR_3</th>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>1</td>\n",
       "      <td>0</td>\n",
       "      <td>...</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>BCL2_2</th>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>1</td>\n",
       "      <td>...</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AKT_SGK</th>\n",
       "      <td>0</td>\n",
       "      <td>1</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>...</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>IAP</th>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>...</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>1</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>IAP_2</th>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>...</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>1</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>SLC16A4</th>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>...</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TNKS_PARP6</th>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>...</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>PIK3CA_2</th>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>...</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>PIK3CA_3</th>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>...</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>PIK3CB</th>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>...</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>PIP5K1</th>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>...</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>ESR1</th>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>...</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>WNT</th>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>...</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>1</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>FGFR4</th>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>...</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>ATM</th>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>1</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>...</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TOP2</th>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>...</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>PRKDC_2</th>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>...</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>FGFR</th>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>...</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>MET_ALK</th>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>1</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>...</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>1</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AKT</th>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>...</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AKT_1</th>\n",
       "      <td>0</td>\n",
       "      <td>1</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>...</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>ALK</th>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>1</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>...</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>ALK_IGFR</th>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>1</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>...</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AR</th>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>1</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>...</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>ATR_1</th>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>1</td>\n",
       "      <td>0</td>\n",
       "      <td>...</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>ATR_2</th>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>1</td>\n",
       "      <td>0</td>\n",
       "      <td>...</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>ATR_4</th>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>1</td>\n",
       "      <td>0</td>\n",
       "      <td>...</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>BCL2</th>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>1</td>\n",
       "      <td>...</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>BCL2_BCL2L1</th>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>1</td>\n",
       "      <td>...</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>...</th>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>NAE</th>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>...</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>HSP90</th>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>...</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>PIK3C_MTOR</th>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>...</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>BRAF_VEGFR2</th>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>...</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>1</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>BRAF_2</th>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>...</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>PIK3C_MTOR_2</th>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>...</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>BIRC5</th>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>...</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TNF</th>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>...</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TNFSF10</th>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>...</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>MAP2K</th>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>...</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>CD19</th>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>...</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>Proteasome</th>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>...</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>PI3KCD</th>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>...</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>Proteasome_2</th>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>...</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TKI_2</th>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>...</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>1</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>MET_2</th>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>...</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>MTOR_3</th>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>...</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>ESR1_2</th>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>...</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>Chloroquine</th>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>...</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>1</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>ESR1_3</th>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>...</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TYMS</th>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>...</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>1</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>Gemcitibine</th>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>...</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>Cisplatin</th>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>...</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>PRKC</th>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>...</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>MTOR_2</th>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>...</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>Azacytidine</th>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>...</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>HDAC_4</th>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>...</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>CarboTaxol</th>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>...</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>FOLFIRI</th>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>...</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>FOLFOX</th>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>...</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "<p>120 rows × 103 columns</p>\n",
       "</div>"
      ],
      "text/plain": [
       "              Targets_ADAM17  Targets_AKT  Targets_AKT1  Targets_AKT2  \\\n",
       "ALK_2                      0            0             0             0   \n",
       "ATR_3                      0            0             0             0   \n",
       "BCL2_2                     0            0             0             0   \n",
       "AKT_SGK                    0            1             0             0   \n",
       "IAP                        0            0             0             0   \n",
       "IAP_2                      0            0             0             0   \n",
       "SLC16A4                    0            0             0             0   \n",
       "TNKS_PARP6                 0            0             0             0   \n",
       "PIK3CA_2                   0            0             0             0   \n",
       "PIK3CA_3                   0            0             0             0   \n",
       "PIK3CB                     0            0             0             0   \n",
       "PIP5K1                     0            0             0             0   \n",
       "ESR1                       0            0             0             0   \n",
       "WNT                        0            0             0             0   \n",
       "FGFR4                      0            0             0             0   \n",
       "ATM                        0            0             0             0   \n",
       "TOP2                       0            0             0             0   \n",
       "PRKDC_2                    0            0             0             0   \n",
       "FGFR                       0            0             0             0   \n",
       "MET_ALK                    0            0             0             0   \n",
       "AKT                        0            0             1             1   \n",
       "AKT_1                      0            1             0             0   \n",
       "ALK                        0            0             0             0   \n",
       "ALK_IGFR                   0            0             0             0   \n",
       "AR                         0            0             0             0   \n",
       "ATR_1                      0            0             0             0   \n",
       "ATR_2                      0            0             0             0   \n",
       "ATR_4                      0            0             0             0   \n",
       "BCL2                       0            0             0             0   \n",
       "BCL2_BCL2L1                0            0             0             0   \n",
       "...                      ...          ...           ...           ...   \n",
       "NAE                        0            0             0             0   \n",
       "HSP90                      0            0             0             0   \n",
       "PIK3C_MTOR                 0            0             0             0   \n",
       "BRAF_VEGFR2                0            0             0             0   \n",
       "BRAF_2                     0            0             0             0   \n",
       "PIK3C_MTOR_2               0            0             0             0   \n",
       "BIRC5                      0            0             0             0   \n",
       "TNF                        0            0             0             0   \n",
       "TNFSF10                    0            0             0             0   \n",
       "MAP2K                      0            0             0             0   \n",
       "CD19                       0            0             0             0   \n",
       "Proteasome                 0            0             0             0   \n",
       "PI3KCD                     0            0             0             0   \n",
       "Proteasome_2               0            0             0             0   \n",
       "TKI_2                      0            0             0             0   \n",
       "MET_2                      0            0             0             0   \n",
       "MTOR_3                     0            0             0             0   \n",
       "ESR1_2                     0            0             0             0   \n",
       "Chloroquine                0            0             0             0   \n",
       "ESR1_3                     0            0             0             0   \n",
       "TYMS                       0            0             0             0   \n",
       "Gemcitibine                0            0             0             0   \n",
       "Cisplatin                  0            0             0             0   \n",
       "PRKC                       0            0             0             0   \n",
       "MTOR_2                     0            0             0             0   \n",
       "Azacytidine                0            0             0             0   \n",
       "HDAC_4                     0            0             0             0   \n",
       "CarboTaxol                 0            0             0             0   \n",
       "FOLFIRI                    0            0             0             0   \n",
       "FOLFOX                     0            0             0             0   \n",
       "\n",
       "              Targets_AKT3  Targets_ALK  Targets_AR  Targets_ATM  Targets_ATR  \\\n",
       "ALK_2                    0            1           0            0            0   \n",
       "ATR_3                    0            0           0            0            1   \n",
       "BCL2_2                   0            0           0            0            0   \n",
       "AKT_SGK                  0            0           0            0            0   \n",
       "IAP                      0            0           0            0            0   \n",
       "IAP_2                    0            0           0            0            0   \n",
       "SLC16A4                  0            0           0            0            0   \n",
       "TNKS_PARP6               0            0           0            0            0   \n",
       "PIK3CA_2                 0            0           0            0            0   \n",
       "PIK3CA_3                 0            0           0            0            0   \n",
       "PIK3CB                   0            0           0            0            0   \n",
       "PIP5K1                   0            0           0            0            0   \n",
       "ESR1                     0            0           0            0            0   \n",
       "WNT                      0            0           0            0            0   \n",
       "FGFR4                    0            0           0            0            0   \n",
       "ATM                      0            0           0            1            0   \n",
       "TOP2                     0            0           0            0            0   \n",
       "PRKDC_2                  0            0           0            0            0   \n",
       "FGFR                     0            0           0            0            0   \n",
       "MET_ALK                  0            1           0            0            0   \n",
       "AKT                      1            0           0            0            0   \n",
       "AKT_1                    0            0           0            0            0   \n",
       "ALK                      0            1           0            0            0   \n",
       "ALK_IGFR                 0            1           0            0            0   \n",
       "AR                       0            0           1            0            0   \n",
       "ATR_1                    0            0           0            0            1   \n",
       "ATR_2                    0            0           0            0            1   \n",
       "ATR_4                    0            0           0            0            1   \n",
       "BCL2                     0            0           0            0            0   \n",
       "BCL2_BCL2L1              0            0           0            0            0   \n",
       "...                    ...          ...         ...          ...          ...   \n",
       "NAE                      0            0           0            0            0   \n",
       "HSP90                    0            0           0            0            0   \n",
       "PIK3C_MTOR               0            0           0            0            0   \n",
       "BRAF_VEGFR2              0            0           0            0            0   \n",
       "BRAF_2                   0            0           0            0            0   \n",
       "PIK3C_MTOR_2             0            0           0            0            0   \n",
       "BIRC5                    0            0           0            0            0   \n",
       "TNF                      0            0           0            0            0   \n",
       "TNFSF10                  0            0           0            0            0   \n",
       "MAP2K                    0            0           0            0            0   \n",
       "CD19                     0            0           0            0            0   \n",
       "Proteasome               0            0           0            0            0   \n",
       "PI3KCD                   0            0           0            0            0   \n",
       "Proteasome_2             0            0           0            0            0   \n",
       "TKI_2                    0            0           0            0            0   \n",
       "MET_2                    0            0           0            0            0   \n",
       "MTOR_3                   0            0           0            0            0   \n",
       "ESR1_2                   0            0           0            0            0   \n",
       "Chloroquine              0            0           0            0            0   \n",
       "ESR1_3                   0            0           0            0            0   \n",
       "TYMS                     0            0           0            0            0   \n",
       "Gemcitibine              0            0           0            0            0   \n",
       "Cisplatin                0            0           0            0            0   \n",
       "PRKC                     0            0           0            0            0   \n",
       "MTOR_2                   0            0           0            0            0   \n",
       "Azacytidine              0            0           0            0            0   \n",
       "HDAC_4                   0            0           0            0            0   \n",
       "CarboTaxol               0            0           0            0            0   \n",
       "FOLFIRI                  0            0           0            0            0   \n",
       "FOLFOX                   0            0           0            0            0   \n",
       "\n",
       "              Targets_BCL2         ...           Targets_TUBB  Targets_TUBB1  \\\n",
       "ALK_2                    0         ...                      0              0   \n",
       "ATR_3                    0         ...                      0              0   \n",
       "BCL2_2                   1         ...                      0              0   \n",
       "AKT_SGK                  0         ...                      0              0   \n",
       "IAP                      0         ...                      0              0   \n",
       "IAP_2                    0         ...                      0              0   \n",
       "SLC16A4                  0         ...                      0              0   \n",
       "TNKS_PARP6               0         ...                      0              0   \n",
       "PIK3CA_2                 0         ...                      0              0   \n",
       "PIK3CA_3                 0         ...                      0              0   \n",
       "PIK3CB                   0         ...                      0              0   \n",
       "PIP5K1                   0         ...                      0              0   \n",
       "ESR1                     0         ...                      0              0   \n",
       "WNT                      0         ...                      0              0   \n",
       "FGFR4                    0         ...                      0              0   \n",
       "ATM                      0         ...                      0              0   \n",
       "TOP2                     0         ...                      0              0   \n",
       "PRKDC_2                  0         ...                      0              0   \n",
       "FGFR                     0         ...                      0              0   \n",
       "MET_ALK                  0         ...                      0              0   \n",
       "AKT                      0         ...                      0              0   \n",
       "AKT_1                    0         ...                      0              0   \n",
       "ALK                      0         ...                      0              0   \n",
       "ALK_IGFR                 0         ...                      0              0   \n",
       "AR                       0         ...                      0              0   \n",
       "ATR_1                    0         ...                      0              0   \n",
       "ATR_2                    0         ...                      0              0   \n",
       "ATR_4                    0         ...                      0              0   \n",
       "BCL2                     1         ...                      0              0   \n",
       "BCL2_BCL2L1              1         ...                      0              0   \n",
       "...                    ...         ...                    ...            ...   \n",
       "NAE                      0         ...                      0              0   \n",
       "HSP90                    0         ...                      0              0   \n",
       "PIK3C_MTOR               0         ...                      0              0   \n",
       "BRAF_VEGFR2              0         ...                      0              0   \n",
       "BRAF_2                   0         ...                      0              0   \n",
       "PIK3C_MTOR_2             0         ...                      0              0   \n",
       "BIRC5                    0         ...                      0              0   \n",
       "TNF                      0         ...                      0              0   \n",
       "TNFSF10                  0         ...                      0              0   \n",
       "MAP2K                    0         ...                      0              0   \n",
       "CD19                     0         ...                      0              0   \n",
       "Proteasome               0         ...                      0              0   \n",
       "PI3KCD                   0         ...                      0              0   \n",
       "Proteasome_2             0         ...                      0              0   \n",
       "TKI_2                    0         ...                      0              0   \n",
       "MET_2                    0         ...                      0              0   \n",
       "MTOR_3                   0         ...                      0              0   \n",
       "ESR1_2                   0         ...                      0              0   \n",
       "Chloroquine              0         ...                      0              0   \n",
       "ESR1_3                   0         ...                      0              0   \n",
       "TYMS                     0         ...                      0              0   \n",
       "Gemcitibine              0         ...                      0              0   \n",
       "Cisplatin                0         ...                      0              0   \n",
       "PRKC                     0         ...                      0              0   \n",
       "MTOR_2                   0         ...                      0              0   \n",
       "Azacytidine              0         ...                      0              0   \n",
       "HDAC_4                   0         ...                      0              0   \n",
       "CarboTaxol               0         ...                      0              0   \n",
       "FOLFIRI                  0         ...                      0              0   \n",
       "FOLFOX                   0         ...                      0              0   \n",
       "\n",
       "              Targets_TYMS  Targets_Thiamine  Targets_VEGFR2  Targets_WEE1  \\\n",
       "ALK_2                    0                 0               0             0   \n",
       "ATR_3                    0                 0               0             0   \n",
       "BCL2_2                   0                 0               0             0   \n",
       "AKT_SGK                  0                 0               0             0   \n",
       "IAP                      0                 0               0             0   \n",
       "IAP_2                    0                 0               0             0   \n",
       "SLC16A4                  0                 0               0             0   \n",
       "TNKS_PARP6               0                 0               0             0   \n",
       "PIK3CA_2                 0                 0               0             0   \n",
       "PIK3CA_3                 0                 0               0             0   \n",
       "PIK3CB                   0                 0               0             0   \n",
       "PIP5K1                   0                 0               0             0   \n",
       "ESR1                     0                 0               0             0   \n",
       "WNT                      0                 0               0             0   \n",
       "FGFR4                    0                 0               0             0   \n",
       "ATM                      0                 0               0             0   \n",
       "TOP2                     0                 0               0             0   \n",
       "PRKDC_2                  0                 0               0             0   \n",
       "FGFR                     0                 0               0             0   \n",
       "MET_ALK                  0                 0               0             0   \n",
       "AKT                      0                 0               0             0   \n",
       "AKT_1                    0                 0               0             0   \n",
       "ALK                      0                 0               0             0   \n",
       "ALK_IGFR                 0                 0               0             0   \n",
       "AR                       0                 0               0             0   \n",
       "ATR_1                    0                 0               0             0   \n",
       "ATR_2                    0                 0               0             0   \n",
       "ATR_4                    0                 0               0             0   \n",
       "BCL2                     0                 0               0             0   \n",
       "BCL2_BCL2L1              0                 0               0             0   \n",
       "...                    ...               ...             ...           ...   \n",
       "NAE                      0                 0               0             0   \n",
       "HSP90                    0                 0               0             0   \n",
       "PIK3C_MTOR               0                 0               0             0   \n",
       "BRAF_VEGFR2              0                 0               1             0   \n",
       "BRAF_2                   0                 0               0             0   \n",
       "PIK3C_MTOR_2             0                 0               0             0   \n",
       "BIRC5                    0                 0               0             0   \n",
       "TNF                      0                 0               0             0   \n",
       "TNFSF10                  0                 0               0             0   \n",
       "MAP2K                    0                 0               0             0   \n",
       "CD19                     0                 0               0             0   \n",
       "Proteasome               0                 0               0             0   \n",
       "PI3KCD                   0                 0               0             0   \n",
       "Proteasome_2             0                 0               0             0   \n",
       "TKI_2                    0                 0               1             0   \n",
       "MET_2                    0                 0               0             0   \n",
       "MTOR_3                   0                 0               0             0   \n",
       "ESR1_2                   0                 0               0             0   \n",
       "Chloroquine              0                 1               0             0   \n",
       "ESR1_3                   0                 0               0             0   \n",
       "TYMS                     1                 0               0             0   \n",
       "Gemcitibine              0                 0               0             0   \n",
       "Cisplatin                0                 0               0             0   \n",
       "PRKC                     0                 0               0             0   \n",
       "MTOR_2                   0                 0               0             0   \n",
       "Azacytidine              0                 0               0             0   \n",
       "HDAC_4                   0                 0               0             0   \n",
       "CarboTaxol               0                 0               0             0   \n",
       "FOLFIRI                  0                 0               0             0   \n",
       "FOLFOX                   0                 0               0             0   \n",
       "\n",
       "              Targets_WNT  Targets_XIAP  Targets_cMET  Targets_microtubule  \n",
       "ALK_2                   0             0             0                    0  \n",
       "ATR_3                   0             0             0                    0  \n",
       "BCL2_2                  0             0             0                    0  \n",
       "AKT_SGK                 0             0             0                    0  \n",
       "IAP                     0             1             0                    0  \n",
       "IAP_2                   0             1             0                    0  \n",
       "SLC16A4                 0             0             0                    0  \n",
       "TNKS_PARP6              0             0             0                    0  \n",
       "PIK3CA_2                0             0             0                    0  \n",
       "PIK3CA_3                0             0             0                    0  \n",
       "PIK3CB                  0             0             0                    0  \n",
       "PIP5K1                  0             0             0                    0  \n",
       "ESR1                    0             0             0                    0  \n",
       "WNT                     1             0             0                    0  \n",
       "FGFR4                   0             0             0                    0  \n",
       "ATM                     0             0             0                    0  \n",
       "TOP2                    0             0             0                    0  \n",
       "PRKDC_2                 0             0             0                    0  \n",
       "FGFR                    0             0             0                    0  \n",
       "MET_ALK                 0             0             1                    0  \n",
       "AKT                     0             0             0                    0  \n",
       "AKT_1                   0             0             0                    0  \n",
       "ALK                     0             0             0                    0  \n",
       "ALK_IGFR                0             0             0                    0  \n",
       "AR                      0             0             0                    0  \n",
       "ATR_1                   0             0             0                    0  \n",
       "ATR_2                   0             0             0                    0  \n",
       "ATR_4                   0             0             0                    0  \n",
       "BCL2                    0             0             0                    0  \n",
       "BCL2_BCL2L1             0             0             0                    0  \n",
       "...                   ...           ...           ...                  ...  \n",
       "NAE                     0             0             0                    0  \n",
       "HSP90                   0             0             0                    0  \n",
       "PIK3C_MTOR              0             0             0                    0  \n",
       "BRAF_VEGFR2             0             0             0                    0  \n",
       "BRAF_2                  0             0             0                    0  \n",
       "PIK3C_MTOR_2            0             0             0                    0  \n",
       "BIRC5                   0             0             0                    0  \n",
       "TNF                     0             0             0                    0  \n",
       "TNFSF10                 0             0             0                    0  \n",
       "MAP2K                   0             0             0                    0  \n",
       "CD19                    0             0             0                    0  \n",
       "Proteasome              0             0             0                    0  \n",
       "PI3KCD                  0             0             0                    0  \n",
       "Proteasome_2            0             0             0                    0  \n",
       "TKI_2                   0             0             0                    0  \n",
       "MET_2                   0             0             0                    0  \n",
       "MTOR_3                  0             0             0                    0  \n",
       "ESR1_2                  0             0             0                    0  \n",
       "Chloroquine             0             0             0                    0  \n",
       "ESR1_3                  0             0             0                    0  \n",
       "TYMS                    0             0             0                    0  \n",
       "Gemcitibine             0             0             0                    0  \n",
       "Cisplatin               0             0             0                    0  \n",
       "PRKC                    0             0             0                    0  \n",
       "MTOR_2                  0             0             0                    0  \n",
       "Azacytidine             0             0             0                    0  \n",
       "HDAC_4                  0             0             0                    0  \n",
       "CarboTaxol              0             0             0                    0  \n",
       "FOLFIRI                 0             0             0                    0  \n",
       "FOLFOX                  0             0             0                    0  \n",
       "\n",
       "[120 rows x 103 columns]"
      ]
     },
     "execution_count": 216,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "targets"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 217,
   "metadata": {
    "collapsed": false,
    "scrolled": false
   },
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "4\n",
      "(120, 103)\n"
     ]
    }
   ],
   "source": [
    "# Sanity check\n",
    "print((targets.ix['MAP2K_RAF'] == 1).sum())\n",
    "print(targets.shape)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 220,
   "metadata": {
    "collapsed": true
   },
   "outputs": [],
   "source": [
    "def generate_features(drug_info, targets=None):\n",
    "    drug_props = drug_info.drop('Target(Official Symbol)', axis=1)\n",
    "    if (targets is not None):\n",
    "        drug_props = pd.concat([drug_props, targets], axis=1)\n",
    "    drug_props_A = drug_props.rename(columns=lambda x: 'A_'+x)\n",
    "    drug_props_B = drug_props.rename(columns=lambda x: 'B_'+x)\n",
    "    features = origX.join(drug_props_A, on='COMPOUND_A').join(drug_props_B, on='COMPOUND_B')\n",
    "    return features"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 221,
   "metadata": {
    "collapsed": false
   },
   "outputs": [],
   "source": [
    "features = generate_features(full_drug_info)\n",
    "features_targets = generate_features(full_drug_info, targets)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 225,
   "metadata": {
    "collapsed": false
   },
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "Features shape: (2145, 21)\n",
      "Features with targets shape: (2145, 227)\n"
     ]
    }
   ],
   "source": [
    "print('Features shape: ' + str(features.shape))\n",
    "print('Features with targets shape: ' + str(features_targets.shape)) # shape should be 227: \n",
    "                                                                     # 11 original monotherapy features, \n",
    "                                                                     # + 2*108 drug targets (108 per compound)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 528,
   "metadata": {
    "collapsed": false
   },
   "outputs": [
    {
     "data": {
      "text/html": [
       "<div>\n",
       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>CELL_LINE</th>\n",
       "      <th>COMPOUND_A</th>\n",
       "      <th>COMPOUND_B</th>\n",
       "      <th>MAX_CONC_A</th>\n",
       "      <th>MAX_CONC_B</th>\n",
       "      <th>IC50_A</th>\n",
       "      <th>H_A</th>\n",
       "      <th>Einf_A</th>\n",
       "      <th>IC50_B</th>\n",
       "      <th>H_B</th>\n",
       "      <th>...</th>\n",
       "      <th>A_HBA</th>\n",
       "      <th>A_cLogP</th>\n",
       "      <th>A_HBD</th>\n",
       "      <th>A_Lipinski</th>\n",
       "      <th>A_MW</th>\n",
       "      <th>B_HBA</th>\n",
       "      <th>B_cLogP</th>\n",
       "      <th>B_HBD</th>\n",
       "      <th>B_Lipinski</th>\n",
       "      <th>B_MW</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td>BT-20</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>AKT</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.809002</td>\n",
       "      <td>59.122436</td>\n",
       "      <td>9.639714</td>\n",
       "      <td>0.757977</td>\n",
       "      <td>...</td>\n",
       "      <td>5.079</td>\n",
       "      <td>1.25780</td>\n",
       "      <td>3.010</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "      <td>8.000</td>\n",
       "      <td>1.18000</td>\n",
       "      <td>5.000</td>\n",
       "      <td>0.000</td>\n",
       "      <td>428.9000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1</th>\n",
       "      <td>CAL-51</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>AKT</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.726984</td>\n",
       "      <td>11.150843</td>\n",
       "      <td>75.000000</td>\n",
       "      <td>0.375043</td>\n",
       "      <td>...</td>\n",
       "      <td>5.079</td>\n",
       "      <td>1.25780</td>\n",
       "      <td>3.010</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "      <td>8.000</td>\n",
       "      <td>1.18000</td>\n",
       "      <td>5.000</td>\n",
       "      <td>0.000</td>\n",
       "      <td>428.9000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2</th>\n",
       "      <td>HCC1187</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>AKT</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>0.410029</td>\n",
       "      <td>1.496901</td>\n",
       "      <td>51.921265</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>5.079</td>\n",
       "      <td>1.25780</td>\n",
       "      <td>3.010</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "      <td>8.000</td>\n",
       "      <td>1.18000</td>\n",
       "      <td>5.000</td>\n",
       "      <td>0.000</td>\n",
       "      <td>428.9000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td>HCC1806</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>AKT</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>0.313992</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>63.399635</td>\n",
       "      <td>75.000000</td>\n",
       "      <td>0.392570</td>\n",
       "      <td>...</td>\n",
       "      <td>5.079</td>\n",
       "      <td>1.25780</td>\n",
       "      <td>3.010</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "      <td>8.000</td>\n",
       "      <td>1.18000</td>\n",
       "      <td>5.000</td>\n",
       "      <td>0.000</td>\n",
       "      <td>428.9000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4</th>\n",
       "      <td>HCC1937</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>AKT</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.771830</td>\n",
       "      <td>41.529554</td>\n",
       "      <td>1.677924</td>\n",
       "      <td>1.119487</td>\n",
       "      <td>...</td>\n",
       "      <td>5.079</td>\n",
       "      <td>1.25780</td>\n",
       "      <td>3.010</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "      <td>8.000</td>\n",
       "      <td>1.18000</td>\n",
       "      <td>5.000</td>\n",
       "      <td>0.000</td>\n",
       "      <td>428.9000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>5</th>\n",
       "      <td>HCC70</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>AKT</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>0.273313</td>\n",
       "      <td>4.442560</td>\n",
       "      <td>17.441897</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>5.079</td>\n",
       "      <td>1.25780</td>\n",
       "      <td>3.010</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "      <td>8.000</td>\n",
       "      <td>1.18000</td>\n",
       "      <td>5.000</td>\n",
       "      <td>0.000</td>\n",
       "      <td>428.9000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>6</th>\n",
       "      <td>MDA-MB-231</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>AKT</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>67.000017</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>5.079</td>\n",
       "      <td>1.25780</td>\n",
       "      <td>3.010</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "      <td>8.000</td>\n",
       "      <td>1.18000</td>\n",
       "      <td>5.000</td>\n",
       "      <td>0.000</td>\n",
       "      <td>428.9000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>7</th>\n",
       "      <td>MDA-MB-436</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>AKT</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>0.180147</td>\n",
       "      <td>3.095076</td>\n",
       "      <td>75.768080</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>5.079</td>\n",
       "      <td>1.25780</td>\n",
       "      <td>3.010</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "      <td>8.000</td>\n",
       "      <td>1.18000</td>\n",
       "      <td>5.000</td>\n",
       "      <td>0.000</td>\n",
       "      <td>428.9000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>8</th>\n",
       "      <td>MDA-MB-453</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>AKT</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>0.282664</td>\n",
       "      <td>2.263455</td>\n",
       "      <td>34.219723</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>5.079</td>\n",
       "      <td>1.25780</td>\n",
       "      <td>3.010</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "      <td>8.000</td>\n",
       "      <td>1.18000</td>\n",
       "      <td>5.000</td>\n",
       "      <td>0.000</td>\n",
       "      <td>428.9000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>9</th>\n",
       "      <td>M14</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>AKT</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>0.276412</td>\n",
       "      <td>3.749313</td>\n",
       "      <td>36.292590</td>\n",
       "      <td>0.007500</td>\n",
       "      <td>0.100000</td>\n",
       "      <td>...</td>\n",
       "      <td>5.079</td>\n",
       "      <td>1.25780</td>\n",
       "      <td>3.010</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "      <td>8.000</td>\n",
       "      <td>1.18000</td>\n",
       "      <td>5.000</td>\n",
       "      <td>0.000</td>\n",
       "      <td>428.9000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>10</th>\n",
       "      <td>BT-549</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>BCL2_BCL2L1</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>0.000100</td>\n",
       "      <td>0.100000</td>\n",
       "      <td>79.232718</td>\n",
       "      <td>0.007500</td>\n",
       "      <td>0.100000</td>\n",
       "      <td>...</td>\n",
       "      <td>5.079</td>\n",
       "      <td>1.25780</td>\n",
       "      <td>3.010</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "      <td>11.000</td>\n",
       "      <td>9.62000</td>\n",
       "      <td>4.000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>945.5000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>11</th>\n",
       "      <td>CAMA-1</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>BCL2_BCL2L1</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.351607</td>\n",
       "      <td>65.814282</td>\n",
       "      <td>0.007500</td>\n",
       "      <td>0.100000</td>\n",
       "      <td>...</td>\n",
       "      <td>5.079</td>\n",
       "      <td>1.25780</td>\n",
       "      <td>3.010</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "      <td>11.000</td>\n",
       "      <td>9.62000</td>\n",
       "      <td>4.000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>945.5000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>12</th>\n",
       "      <td>DU-4475</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>BCL2_BCL2L1</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>0.008057</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>0.074954</td>\n",
       "      <td>37.436064</td>\n",
       "      <td>1.372342</td>\n",
       "      <td>...</td>\n",
       "      <td>5.079</td>\n",
       "      <td>1.25780</td>\n",
       "      <td>3.010</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "      <td>11.000</td>\n",
       "      <td>9.62000</td>\n",
       "      <td>4.000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>945.5000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>13</th>\n",
       "      <td>HCC1395</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>BCL2_BCL2L1</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.141016</td>\n",
       "      <td>86.381581</td>\n",
       "      <td>75.000000</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>5.079</td>\n",
       "      <td>1.25780</td>\n",
       "      <td>3.010</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "      <td>11.000</td>\n",
       "      <td>9.62000</td>\n",
       "      <td>4.000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>945.5000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>14</th>\n",
       "      <td>HCC1806</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>BCL2_BCL2L1</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>5.079</td>\n",
       "      <td>1.25780</td>\n",
       "      <td>3.010</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "      <td>11.000</td>\n",
       "      <td>9.62000</td>\n",
       "      <td>4.000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>945.5000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>15</th>\n",
       "      <td>HCC70</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>BCL2_BCL2L1</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>5.079</td>\n",
       "      <td>1.25780</td>\n",
       "      <td>3.010</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "      <td>11.000</td>\n",
       "      <td>9.62000</td>\n",
       "      <td>4.000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>945.5000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>16</th>\n",
       "      <td>MDA-MB-157</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>BCL2_BCL2L1</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>0.333916</td>\n",
       "      <td>0.691399</td>\n",
       "      <td>76.917447</td>\n",
       "      <td>0.007500</td>\n",
       "      <td>4.234800</td>\n",
       "      <td>...</td>\n",
       "      <td>5.079</td>\n",
       "      <td>1.25780</td>\n",
       "      <td>3.010</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "      <td>11.000</td>\n",
       "      <td>9.62000</td>\n",
       "      <td>4.000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>945.5000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>17</th>\n",
       "      <td>MDA-MB-231</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>BCL2_BCL2L1</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>0.715985</td>\n",
       "      <td>0.884762</td>\n",
       "      <td>38.570265</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>5.079</td>\n",
       "      <td>1.25780</td>\n",
       "      <td>3.010</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "      <td>11.000</td>\n",
       "      <td>9.62000</td>\n",
       "      <td>4.000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>945.5000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>18</th>\n",
       "      <td>MDA-MB-436</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>BCL2_BCL2L1</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>76.000066</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>5.079</td>\n",
       "      <td>1.25780</td>\n",
       "      <td>3.010</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "      <td>11.000</td>\n",
       "      <td>9.62000</td>\n",
       "      <td>4.000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>945.5000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>19</th>\n",
       "      <td>MDA-MB-468</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>BCL2_BCL2L1</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.505492</td>\n",
       "      <td>25.212832</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>5.079</td>\n",
       "      <td>1.25780</td>\n",
       "      <td>3.010</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "      <td>11.000</td>\n",
       "      <td>9.62000</td>\n",
       "      <td>4.000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>945.5000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>20</th>\n",
       "      <td>MFM-223</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>BCL2_BCL2L1</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>0.351511</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>61.798894</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>5.079</td>\n",
       "      <td>1.25780</td>\n",
       "      <td>3.010</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "      <td>11.000</td>\n",
       "      <td>9.62000</td>\n",
       "      <td>4.000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>945.5000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>21</th>\n",
       "      <td>BT-549</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>FGFR</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>0.055009</td>\n",
       "      <td>0.446446</td>\n",
       "      <td>54.092640</td>\n",
       "      <td>0.007500</td>\n",
       "      <td>0.100000</td>\n",
       "      <td>...</td>\n",
       "      <td>5.079</td>\n",
       "      <td>1.25780</td>\n",
       "      <td>3.010</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "      <td>8.000</td>\n",
       "      <td>4.43000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>0.000</td>\n",
       "      <td>463.6000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>22</th>\n",
       "      <td>HCC1143</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>FGFR</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>0.007500</td>\n",
       "      <td>0.100000</td>\n",
       "      <td>...</td>\n",
       "      <td>5.079</td>\n",
       "      <td>1.25780</td>\n",
       "      <td>3.010</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "      <td>8.000</td>\n",
       "      <td>4.43000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>0.000</td>\n",
       "      <td>463.6000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>23</th>\n",
       "      <td>HCC1395</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>FGFR</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>0.013427</td>\n",
       "      <td>1.546685</td>\n",
       "      <td>47.806063</td>\n",
       "      <td>75.000000</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>5.079</td>\n",
       "      <td>1.25780</td>\n",
       "      <td>3.010</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "      <td>8.000</td>\n",
       "      <td>4.43000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>0.000</td>\n",
       "      <td>463.6000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>24</th>\n",
       "      <td>HCC1937</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>FGFR</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>0.038940</td>\n",
       "      <td>0.100000</td>\n",
       "      <td>94.040014</td>\n",
       "      <td>75.000000</td>\n",
       "      <td>0.308487</td>\n",
       "      <td>...</td>\n",
       "      <td>5.079</td>\n",
       "      <td>1.25780</td>\n",
       "      <td>3.010</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "      <td>8.000</td>\n",
       "      <td>4.43000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>0.000</td>\n",
       "      <td>463.6000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>25</th>\n",
       "      <td>HCC38</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>FGFR</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>0.023901</td>\n",
       "      <td>3.796290</td>\n",
       "      <td>85.606815</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>5.079</td>\n",
       "      <td>1.25780</td>\n",
       "      <td>3.010</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "      <td>8.000</td>\n",
       "      <td>4.43000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>0.000</td>\n",
       "      <td>463.6000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>26</th>\n",
       "      <td>MDA-MB-157</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>FGFR</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>0.027860</td>\n",
       "      <td>1.803079</td>\n",
       "      <td>33.760231</td>\n",
       "      <td>4.235473</td>\n",
       "      <td>0.642597</td>\n",
       "      <td>...</td>\n",
       "      <td>5.079</td>\n",
       "      <td>1.25780</td>\n",
       "      <td>3.010</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "      <td>8.000</td>\n",
       "      <td>4.43000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>0.000</td>\n",
       "      <td>463.6000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>27</th>\n",
       "      <td>MDA-MB-231</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>FGFR</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>5.079</td>\n",
       "      <td>1.25780</td>\n",
       "      <td>3.010</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "      <td>8.000</td>\n",
       "      <td>4.43000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>0.000</td>\n",
       "      <td>463.6000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>28</th>\n",
       "      <td>MDA-MB-436</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>FGFR</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>3.009749</td>\n",
       "      <td>82.013688</td>\n",
       "      <td>2.089504</td>\n",
       "      <td>2.383122</td>\n",
       "      <td>...</td>\n",
       "      <td>5.079</td>\n",
       "      <td>1.25780</td>\n",
       "      <td>3.010</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "      <td>8.000</td>\n",
       "      <td>4.43000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>0.000</td>\n",
       "      <td>463.6000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>29</th>\n",
       "      <td>MDA-MB-453</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>FGFR</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>0.235457</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>29.271529</td>\n",
       "      <td>16.446538</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>5.079</td>\n",
       "      <td>1.25780</td>\n",
       "      <td>3.010</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "      <td>8.000</td>\n",
       "      <td>4.43000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>0.000</td>\n",
       "      <td>463.6000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>...</th>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2126</th>\n",
       "      <td>HCC1937</td>\n",
       "      <td>PIK3CB_PIK3CD</td>\n",
       "      <td>PIP5K1</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.279629</td>\n",
       "      <td>83.078909</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.299655</td>\n",
       "      <td>...</td>\n",
       "      <td>7.000</td>\n",
       "      <td>1.67000</td>\n",
       "      <td>1.000</td>\n",
       "      <td>0.000</td>\n",
       "      <td>457.5000</td>\n",
       "      <td>4.966</td>\n",
       "      <td>2.26238</td>\n",
       "      <td>3.277</td>\n",
       "      <td>0.213</td>\n",
       "      <td>419.7429</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2127</th>\n",
       "      <td>Hs-578-T</td>\n",
       "      <td>PIK3CB_PIK3CD</td>\n",
       "      <td>PIP5K1</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>7.000</td>\n",
       "      <td>1.67000</td>\n",
       "      <td>1.000</td>\n",
       "      <td>0.000</td>\n",
       "      <td>457.5000</td>\n",
       "      <td>4.966</td>\n",
       "      <td>2.26238</td>\n",
       "      <td>3.277</td>\n",
       "      <td>0.213</td>\n",
       "      <td>419.7429</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2128</th>\n",
       "      <td>MDA-MB-468</td>\n",
       "      <td>PIK3CB_PIK3CD</td>\n",
       "      <td>PIP5K1</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>7.000</td>\n",
       "      <td>1.67000</td>\n",
       "      <td>1.000</td>\n",
       "      <td>0.000</td>\n",
       "      <td>457.5000</td>\n",
       "      <td>4.966</td>\n",
       "      <td>2.26238</td>\n",
       "      <td>3.277</td>\n",
       "      <td>0.213</td>\n",
       "      <td>419.7429</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2129</th>\n",
       "      <td>DU-4475</td>\n",
       "      <td>FGFR</td>\n",
       "      <td>SLC16A4</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.00</td>\n",
       "      <td>0.199115</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>83.880515</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>8.000</td>\n",
       "      <td>4.43000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>0.000</td>\n",
       "      <td>463.6000</td>\n",
       "      <td>4.966</td>\n",
       "      <td>2.26238</td>\n",
       "      <td>3.277</td>\n",
       "      <td>0.213</td>\n",
       "      <td>419.7429</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2130</th>\n",
       "      <td>HCC70</td>\n",
       "      <td>FGFR</td>\n",
       "      <td>SLC16A4</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>8.000</td>\n",
       "      <td>4.43000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>0.000</td>\n",
       "      <td>463.6000</td>\n",
       "      <td>4.966</td>\n",
       "      <td>2.26238</td>\n",
       "      <td>3.277</td>\n",
       "      <td>0.213</td>\n",
       "      <td>419.7429</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2131</th>\n",
       "      <td>MDA-MB-453</td>\n",
       "      <td>FGFR</td>\n",
       "      <td>SLC16A4</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>94.400137</td>\n",
       "      <td>0.101618</td>\n",
       "      <td>9.928095</td>\n",
       "      <td>...</td>\n",
       "      <td>8.000</td>\n",
       "      <td>4.43000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>0.000</td>\n",
       "      <td>463.6000</td>\n",
       "      <td>4.966</td>\n",
       "      <td>2.26238</td>\n",
       "      <td>3.277</td>\n",
       "      <td>0.213</td>\n",
       "      <td>419.7429</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2132</th>\n",
       "      <td>DU-4475</td>\n",
       "      <td>MTOR_1</td>\n",
       "      <td>SLC16A4</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>49.800407</td>\n",
       "      <td>0.408807</td>\n",
       "      <td>1.513629</td>\n",
       "      <td>...</td>\n",
       "      <td>9.000</td>\n",
       "      <td>2.47000</td>\n",
       "      <td>1.000</td>\n",
       "      <td>0.000</td>\n",
       "      <td>462.6000</td>\n",
       "      <td>4.966</td>\n",
       "      <td>2.26238</td>\n",
       "      <td>3.277</td>\n",
       "      <td>0.213</td>\n",
       "      <td>419.7429</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2133</th>\n",
       "      <td>MDA-MB-157</td>\n",
       "      <td>MTOR_1</td>\n",
       "      <td>SLC16A4</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.00</td>\n",
       "      <td>0.188912</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>83.165949</td>\n",
       "      <td>0.122660</td>\n",
       "      <td>2.100550</td>\n",
       "      <td>...</td>\n",
       "      <td>9.000</td>\n",
       "      <td>2.47000</td>\n",
       "      <td>1.000</td>\n",
       "      <td>0.000</td>\n",
       "      <td>462.6000</td>\n",
       "      <td>4.966</td>\n",
       "      <td>2.26238</td>\n",
       "      <td>3.277</td>\n",
       "      <td>0.213</td>\n",
       "      <td>419.7429</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2134</th>\n",
       "      <td>CAL-120</td>\n",
       "      <td>PIK3CB_PIK3CD</td>\n",
       "      <td>SLC16A4</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>0.281863</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>7.000</td>\n",
       "      <td>1.67000</td>\n",
       "      <td>1.000</td>\n",
       "      <td>0.000</td>\n",
       "      <td>457.5000</td>\n",
       "      <td>4.966</td>\n",
       "      <td>2.26238</td>\n",
       "      <td>3.277</td>\n",
       "      <td>0.213</td>\n",
       "      <td>419.7429</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2135</th>\n",
       "      <td>DU-4475</td>\n",
       "      <td>PIK3CB_PIK3CD</td>\n",
       "      <td>SLC16A4</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>7.000</td>\n",
       "      <td>1.67000</td>\n",
       "      <td>1.000</td>\n",
       "      <td>0.000</td>\n",
       "      <td>457.5000</td>\n",
       "      <td>4.966</td>\n",
       "      <td>2.26238</td>\n",
       "      <td>3.277</td>\n",
       "      <td>0.213</td>\n",
       "      <td>419.7429</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2136</th>\n",
       "      <td>HCT-116</td>\n",
       "      <td>IGFR_3</td>\n",
       "      <td>TKI</td>\n",
       "      <td>3.00</td>\n",
       "      <td>10.00</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>6.000</td>\n",
       "      <td>4.00000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>0.000</td>\n",
       "      <td>421.5000</td>\n",
       "      <td>6.000</td>\n",
       "      <td>5.84000</td>\n",
       "      <td>1.000</td>\n",
       "      <td>1.000</td>\n",
       "      <td>475.4000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2137</th>\n",
       "      <td>Calu-3</td>\n",
       "      <td>CSNK2A1_2</td>\n",
       "      <td>TNFSF10</td>\n",
       "      <td>0.03</td>\n",
       "      <td>0.03</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>0.030000</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>10.000</td>\n",
       "      <td>2.12000</td>\n",
       "      <td>5.000</td>\n",
       "      <td>0.000</td>\n",
       "      <td>419.5000</td>\n",
       "      <td>5.079</td>\n",
       "      <td>1.25780</td>\n",
       "      <td>3.010</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2138</th>\n",
       "      <td>NCI-H1563</td>\n",
       "      <td>CSNK2A1_2</td>\n",
       "      <td>TNFSF10</td>\n",
       "      <td>0.03</td>\n",
       "      <td>0.03</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>0.010285</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>10.000</td>\n",
       "      <td>2.12000</td>\n",
       "      <td>5.000</td>\n",
       "      <td>0.000</td>\n",
       "      <td>419.5000</td>\n",
       "      <td>5.079</td>\n",
       "      <td>1.25780</td>\n",
       "      <td>3.010</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2139</th>\n",
       "      <td>NCI-H226</td>\n",
       "      <td>CSNK2A1_2</td>\n",
       "      <td>TNFSF10</td>\n",
       "      <td>0.03</td>\n",
       "      <td>0.10</td>\n",
       "      <td>0.011123</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>80.899062</td>\n",
       "      <td>0.005038</td>\n",
       "      <td>2.174639</td>\n",
       "      <td>...</td>\n",
       "      <td>10.000</td>\n",
       "      <td>2.12000</td>\n",
       "      <td>5.000</td>\n",
       "      <td>0.000</td>\n",
       "      <td>419.5000</td>\n",
       "      <td>5.079</td>\n",
       "      <td>1.25780</td>\n",
       "      <td>3.010</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2140</th>\n",
       "      <td>NCI-H2291</td>\n",
       "      <td>CSNK2A1_2</td>\n",
       "      <td>TNFSF10</td>\n",
       "      <td>0.03</td>\n",
       "      <td>0.01</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>0.002391</td>\n",
       "      <td>1.155651</td>\n",
       "      <td>...</td>\n",
       "      <td>10.000</td>\n",
       "      <td>2.12000</td>\n",
       "      <td>5.000</td>\n",
       "      <td>0.000</td>\n",
       "      <td>419.5000</td>\n",
       "      <td>5.079</td>\n",
       "      <td>1.25780</td>\n",
       "      <td>3.010</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2141</th>\n",
       "      <td>DU-4475</td>\n",
       "      <td>AKT</td>\n",
       "      <td>TNKS_PARP6</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.00</td>\n",
       "      <td>0.015031</td>\n",
       "      <td>1.964171</td>\n",
       "      <td>1.256086</td>\n",
       "      <td>0.134083</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>8.000</td>\n",
       "      <td>1.18000</td>\n",
       "      <td>5.000</td>\n",
       "      <td>0.000</td>\n",
       "      <td>428.9000</td>\n",
       "      <td>4.966</td>\n",
       "      <td>2.26238</td>\n",
       "      <td>3.277</td>\n",
       "      <td>0.213</td>\n",
       "      <td>419.7429</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2142</th>\n",
       "      <td>HCC1937</td>\n",
       "      <td>AKT</td>\n",
       "      <td>TNKS_PARP6</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.00</td>\n",
       "      <td>0.098550</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>61.599662</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>8.000</td>\n",
       "      <td>1.18000</td>\n",
       "      <td>5.000</td>\n",
       "      <td>0.000</td>\n",
       "      <td>428.9000</td>\n",
       "      <td>4.966</td>\n",
       "      <td>2.26238</td>\n",
       "      <td>3.277</td>\n",
       "      <td>0.213</td>\n",
       "      <td>419.7429</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2143</th>\n",
       "      <td>HCC1937</td>\n",
       "      <td>FGFR</td>\n",
       "      <td>TNKS_PARP6</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.00</td>\n",
       "      <td>0.060135</td>\n",
       "      <td>1.262816</td>\n",
       "      <td>53.668078</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>8.000</td>\n",
       "      <td>4.43000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>0.000</td>\n",
       "      <td>463.6000</td>\n",
       "      <td>4.966</td>\n",
       "      <td>2.26238</td>\n",
       "      <td>3.277</td>\n",
       "      <td>0.213</td>\n",
       "      <td>419.7429</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2144</th>\n",
       "      <td>M14</td>\n",
       "      <td>FGFR</td>\n",
       "      <td>TNKS_PARP6</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.00</td>\n",
       "      <td>0.172157</td>\n",
       "      <td>7.940519</td>\n",
       "      <td>16.699767</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>8.000</td>\n",
       "      <td>4.43000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>0.000</td>\n",
       "      <td>463.6000</td>\n",
       "      <td>4.966</td>\n",
       "      <td>2.26238</td>\n",
       "      <td>3.277</td>\n",
       "      <td>0.213</td>\n",
       "      <td>419.7429</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2145</th>\n",
       "      <td>DU-4475</td>\n",
       "      <td>PIK3CB_PIK3CD</td>\n",
       "      <td>TNKS_PARP6</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.00</td>\n",
       "      <td>0.018177</td>\n",
       "      <td>2.918650</td>\n",
       "      <td>2.525304</td>\n",
       "      <td>0.186303</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>7.000</td>\n",
       "      <td>1.67000</td>\n",
       "      <td>1.000</td>\n",
       "      <td>0.000</td>\n",
       "      <td>457.5000</td>\n",
       "      <td>4.966</td>\n",
       "      <td>2.26238</td>\n",
       "      <td>3.277</td>\n",
       "      <td>0.213</td>\n",
       "      <td>419.7429</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2146</th>\n",
       "      <td>HCC1937</td>\n",
       "      <td>PIK3CB_PIK3CD</td>\n",
       "      <td>TNKS_PARP6</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.00</td>\n",
       "      <td>0.096356</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>68.399727</td>\n",
       "      <td>0.169525</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>7.000</td>\n",
       "      <td>1.67000</td>\n",
       "      <td>1.000</td>\n",
       "      <td>0.000</td>\n",
       "      <td>457.5000</td>\n",
       "      <td>4.966</td>\n",
       "      <td>2.26238</td>\n",
       "      <td>3.277</td>\n",
       "      <td>0.213</td>\n",
       "      <td>419.7429</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2147</th>\n",
       "      <td>Calu-3</td>\n",
       "      <td>ALK_2</td>\n",
       "      <td>TOP2</td>\n",
       "      <td>3.00</td>\n",
       "      <td>3.00</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>2.891598</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>4.966</td>\n",
       "      <td>2.26238</td>\n",
       "      <td>3.277</td>\n",
       "      <td>0.213</td>\n",
       "      <td>419.7429</td>\n",
       "      <td>4.000</td>\n",
       "      <td>5.44000</td>\n",
       "      <td>0.000</td>\n",
       "      <td>1.000</td>\n",
       "      <td>413.5000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2148</th>\n",
       "      <td>NCI-H2170</td>\n",
       "      <td>ALK_2</td>\n",
       "      <td>TOP2</td>\n",
       "      <td>3.00</td>\n",
       "      <td>3.00</td>\n",
       "      <td>2.504366</td>\n",
       "      <td>1.598284</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.933531</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>4.966</td>\n",
       "      <td>2.26238</td>\n",
       "      <td>3.277</td>\n",
       "      <td>0.213</td>\n",
       "      <td>419.7429</td>\n",
       "      <td>4.000</td>\n",
       "      <td>5.44000</td>\n",
       "      <td>0.000</td>\n",
       "      <td>1.000</td>\n",
       "      <td>413.5000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2149</th>\n",
       "      <td>NCI-H3122</td>\n",
       "      <td>ALK_2</td>\n",
       "      <td>TOP2</td>\n",
       "      <td>3.00</td>\n",
       "      <td>3.00</td>\n",
       "      <td>0.058825</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>28.614024</td>\n",
       "      <td>0.088139</td>\n",
       "      <td>1.511200</td>\n",
       "      <td>...</td>\n",
       "      <td>4.966</td>\n",
       "      <td>2.26238</td>\n",
       "      <td>3.277</td>\n",
       "      <td>0.213</td>\n",
       "      <td>419.7429</td>\n",
       "      <td>4.000</td>\n",
       "      <td>5.44000</td>\n",
       "      <td>0.000</td>\n",
       "      <td>1.000</td>\n",
       "      <td>413.5000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2150</th>\n",
       "      <td>NCI-H2170</td>\n",
       "      <td>Doxorubicin</td>\n",
       "      <td>TOP2</td>\n",
       "      <td>3.00</td>\n",
       "      <td>0.10</td>\n",
       "      <td>2.877492</td>\n",
       "      <td>0.809600</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.100000</td>\n",
       "      <td>2.048971</td>\n",
       "      <td>...</td>\n",
       "      <td>12.000</td>\n",
       "      <td>0.32000</td>\n",
       "      <td>7.000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>543.5000</td>\n",
       "      <td>4.000</td>\n",
       "      <td>5.44000</td>\n",
       "      <td>0.000</td>\n",
       "      <td>1.000</td>\n",
       "      <td>413.5000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2151</th>\n",
       "      <td>Calu-3</td>\n",
       "      <td>BCL2L1</td>\n",
       "      <td>Vinorelbine</td>\n",
       "      <td>0.03</td>\n",
       "      <td>3.00</td>\n",
       "      <td>0.000003</td>\n",
       "      <td>0.100000</td>\n",
       "      <td>89.777949</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>9.000</td>\n",
       "      <td>3.05000</td>\n",
       "      <td>2.000</td>\n",
       "      <td>1.000</td>\n",
       "      <td>651.8000</td>\n",
       "      <td>12.000</td>\n",
       "      <td>5.94000</td>\n",
       "      <td>2.000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>778.9000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2152</th>\n",
       "      <td>NCI-H520</td>\n",
       "      <td>BCL2L1</td>\n",
       "      <td>Vinorelbine</td>\n",
       "      <td>0.01</td>\n",
       "      <td>3.00</td>\n",
       "      <td>0.003404</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>93.199856</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>9.000</td>\n",
       "      <td>3.05000</td>\n",
       "      <td>2.000</td>\n",
       "      <td>1.000</td>\n",
       "      <td>651.8000</td>\n",
       "      <td>12.000</td>\n",
       "      <td>5.94000</td>\n",
       "      <td>2.000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>778.9000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2153</th>\n",
       "      <td>NCI-H838</td>\n",
       "      <td>BCL2L1</td>\n",
       "      <td>Vinorelbine</td>\n",
       "      <td>0.10</td>\n",
       "      <td>3.00</td>\n",
       "      <td>0.028819</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>6.698028</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>9.000</td>\n",
       "      <td>3.05000</td>\n",
       "      <td>2.000</td>\n",
       "      <td>1.000</td>\n",
       "      <td>651.8000</td>\n",
       "      <td>12.000</td>\n",
       "      <td>5.94000</td>\n",
       "      <td>2.000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>778.9000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2154</th>\n",
       "      <td>NCI-H3122</td>\n",
       "      <td>BCL2_2</td>\n",
       "      <td>Vinorelbine</td>\n",
       "      <td>0.10</td>\n",
       "      <td>3.00</td>\n",
       "      <td>0.007438</td>\n",
       "      <td>0.831225</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>4.966</td>\n",
       "      <td>2.26238</td>\n",
       "      <td>3.277</td>\n",
       "      <td>0.213</td>\n",
       "      <td>419.7429</td>\n",
       "      <td>12.000</td>\n",
       "      <td>5.94000</td>\n",
       "      <td>2.000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>778.9000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2155</th>\n",
       "      <td>NCI-H838</td>\n",
       "      <td>BCL2_2</td>\n",
       "      <td>Vinorelbine</td>\n",
       "      <td>0.10</td>\n",
       "      <td>3.00</td>\n",
       "      <td>0.029195</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>9.098033</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>4.966</td>\n",
       "      <td>2.26238</td>\n",
       "      <td>3.277</td>\n",
       "      <td>0.213</td>\n",
       "      <td>419.7429</td>\n",
       "      <td>12.000</td>\n",
       "      <td>5.94000</td>\n",
       "      <td>2.000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>778.9000</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "<p>2145 rows × 21 columns</p>\n",
       "</div>"
      ],
      "text/plain": [
       "       CELL_LINE     COMPOUND_A   COMPOUND_B  MAX_CONC_A  MAX_CONC_B  \\\n",
       "0          BT-20         ADAM17          AKT        1.00       75.00   \n",
       "1         CAL-51         ADAM17          AKT        1.00       75.00   \n",
       "2        HCC1187         ADAM17          AKT        1.00       75.00   \n",
       "3        HCC1806         ADAM17          AKT        1.00       75.00   \n",
       "4        HCC1937         ADAM17          AKT        1.00       75.00   \n",
       "5          HCC70         ADAM17          AKT        1.00       75.00   \n",
       "6     MDA-MB-231         ADAM17          AKT        1.00       75.00   \n",
       "7     MDA-MB-436         ADAM17          AKT        1.00       75.00   \n",
       "8     MDA-MB-453         ADAM17          AKT        1.00       75.00   \n",
       "9            M14         ADAM17          AKT        1.00       75.00   \n",
       "10        BT-549         ADAM17  BCL2_BCL2L1        1.00       75.00   \n",
       "11        CAMA-1         ADAM17  BCL2_BCL2L1        1.00       75.00   \n",
       "12       DU-4475         ADAM17  BCL2_BCL2L1        1.00       75.00   \n",
       "13       HCC1395         ADAM17  BCL2_BCL2L1        1.00       75.00   \n",
       "14       HCC1806         ADAM17  BCL2_BCL2L1        1.00       75.00   \n",
       "15         HCC70         ADAM17  BCL2_BCL2L1        1.00       75.00   \n",
       "16    MDA-MB-157         ADAM17  BCL2_BCL2L1        1.00       75.00   \n",
       "17    MDA-MB-231         ADAM17  BCL2_BCL2L1        1.00       75.00   \n",
       "18    MDA-MB-436         ADAM17  BCL2_BCL2L1        1.00       75.00   \n",
       "19    MDA-MB-468         ADAM17  BCL2_BCL2L1        1.00       75.00   \n",
       "20       MFM-223         ADAM17  BCL2_BCL2L1        1.00       75.00   \n",
       "21        BT-549         ADAM17         FGFR        1.00       75.00   \n",
       "22       HCC1143         ADAM17         FGFR        1.00       75.00   \n",
       "23       HCC1395         ADAM17         FGFR        1.00       75.00   \n",
       "24       HCC1937         ADAM17         FGFR        1.00       75.00   \n",
       "25         HCC38         ADAM17         FGFR        1.00       75.00   \n",
       "26    MDA-MB-157         ADAM17         FGFR        1.00       75.00   \n",
       "27    MDA-MB-231         ADAM17         FGFR        1.00       75.00   \n",
       "28    MDA-MB-436         ADAM17         FGFR        1.00       75.00   \n",
       "29    MDA-MB-453         ADAM17         FGFR        1.00       75.00   \n",
       "...          ...            ...          ...         ...         ...   \n",
       "2126     HCC1937  PIK3CB_PIK3CD       PIP5K1        1.00        1.00   \n",
       "2127    Hs-578-T  PIK3CB_PIK3CD       PIP5K1        1.00        1.00   \n",
       "2128  MDA-MB-468  PIK3CB_PIK3CD       PIP5K1        1.00        1.00   \n",
       "2129     DU-4475           FGFR      SLC16A4        1.00        1.00   \n",
       "2130       HCC70           FGFR      SLC16A4        1.00        1.00   \n",
       "2131  MDA-MB-453           FGFR      SLC16A4        1.00        1.00   \n",
       "2132     DU-4475         MTOR_1      SLC16A4        1.00        1.00   \n",
       "2133  MDA-MB-157         MTOR_1      SLC16A4        1.00        1.00   \n",
       "2134     CAL-120  PIK3CB_PIK3CD      SLC16A4        1.00        1.00   \n",
       "2135     DU-4475  PIK3CB_PIK3CD      SLC16A4        1.00        1.00   \n",
       "2136     HCT-116         IGFR_3          TKI        3.00       10.00   \n",
       "2137      Calu-3      CSNK2A1_2      TNFSF10        0.03        0.03   \n",
       "2138   NCI-H1563      CSNK2A1_2      TNFSF10        0.03        0.03   \n",
       "2139    NCI-H226      CSNK2A1_2      TNFSF10        0.03        0.10   \n",
       "2140   NCI-H2291      CSNK2A1_2      TNFSF10        0.03        0.01   \n",
       "2141     DU-4475            AKT   TNKS_PARP6        1.00        1.00   \n",
       "2142     HCC1937            AKT   TNKS_PARP6        1.00        1.00   \n",
       "2143     HCC1937           FGFR   TNKS_PARP6        1.00        1.00   \n",
       "2144         M14           FGFR   TNKS_PARP6        1.00        1.00   \n",
       "2145     DU-4475  PIK3CB_PIK3CD   TNKS_PARP6        1.00        1.00   \n",
       "2146     HCC1937  PIK3CB_PIK3CD   TNKS_PARP6        1.00        1.00   \n",
       "2147      Calu-3          ALK_2         TOP2        3.00        3.00   \n",
       "2148   NCI-H2170          ALK_2         TOP2        3.00        3.00   \n",
       "2149   NCI-H3122          ALK_2         TOP2        3.00        3.00   \n",
       "2150   NCI-H2170    Doxorubicin         TOP2        3.00        0.10   \n",
       "2151      Calu-3         BCL2L1  Vinorelbine        0.03        3.00   \n",
       "2152    NCI-H520         BCL2L1  Vinorelbine        0.01        3.00   \n",
       "2153    NCI-H838         BCL2L1  Vinorelbine        0.10        3.00   \n",
       "2154   NCI-H3122         BCL2_2  Vinorelbine        0.10        3.00   \n",
       "2155    NCI-H838         BCL2_2  Vinorelbine        0.10        3.00   \n",
       "\n",
       "        IC50_A        H_A      Einf_A     IC50_B        H_B    ...      A_HBA  \\\n",
       "0     1.000000   0.809002   59.122436   9.639714   0.757977    ...      5.079   \n",
       "1     1.000000   0.726984   11.150843  75.000000   0.375043    ...      5.079   \n",
       "2     0.410029   1.496901   51.921265   1.000000   0.000000    ...      5.079   \n",
       "3     0.313992  10.000000   63.399635  75.000000   0.392570    ...      5.079   \n",
       "4     1.000000   0.771830   41.529554   1.677924   1.119487    ...      5.079   \n",
       "5     0.273313   4.442560   17.441897   1.000000   0.000000    ...      5.079   \n",
       "6     1.000000  10.000000   67.000017   1.000000   0.000000    ...      5.079   \n",
       "7     0.180147   3.095076   75.768080   1.000000   0.000000    ...      5.079   \n",
       "8     0.282664   2.263455   34.219723   1.000000   0.000000    ...      5.079   \n",
       "9     0.276412   3.749313   36.292590   0.007500   0.100000    ...      5.079   \n",
       "10    0.000100   0.100000   79.232718   0.007500   0.100000    ...      5.079   \n",
       "11    1.000000   0.351607   65.814282   0.007500   0.100000    ...      5.079   \n",
       "12    0.008057  10.000000    0.074954  37.436064   1.372342    ...      5.079   \n",
       "13    1.000000   0.141016   86.381581  75.000000  10.000000    ...      5.079   \n",
       "14    1.000000   0.000000  100.000000   1.000000   0.000000    ...      5.079   \n",
       "15    1.000000   0.000000  100.000000   1.000000   0.000000    ...      5.079   \n",
       "16    0.333916   0.691399   76.917447   0.007500   4.234800    ...      5.079   \n",
       "17    0.715985   0.884762   38.570265   1.000000   0.000000    ...      5.079   \n",
       "18    1.000000  10.000000   76.000066   1.000000   0.000000    ...      5.079   \n",
       "19    1.000000   0.505492   25.212832   1.000000   0.000000    ...      5.079   \n",
       "20    0.351511  10.000000   61.798894   1.000000   0.000000    ...      5.079   \n",
       "21    0.055009   0.446446   54.092640   0.007500   0.100000    ...      5.079   \n",
       "22    1.000000   0.000000  100.000000   0.007500   0.100000    ...      5.079   \n",
       "23    0.013427   1.546685   47.806063  75.000000  10.000000    ...      5.079   \n",
       "24    0.038940   0.100000   94.040014  75.000000   0.308487    ...      5.079   \n",
       "25    0.023901   3.796290   85.606815   1.000000   0.000000    ...      5.079   \n",
       "26    0.027860   1.803079   33.760231   4.235473   0.642597    ...      5.079   \n",
       "27    1.000000   0.000000  100.000000   1.000000   0.000000    ...      5.079   \n",
       "28    1.000000   3.009749   82.013688   2.089504   2.383122    ...      5.079   \n",
       "29    0.235457  10.000000   29.271529  16.446538  10.000000    ...      5.079   \n",
       "...        ...        ...         ...        ...        ...    ...        ...   \n",
       "2126  1.000000   0.279629   83.078909   1.000000   0.299655    ...      7.000   \n",
       "2127  1.000000   0.000000  100.000000   1.000000  10.000000    ...      7.000   \n",
       "2128  1.000000   0.000000  100.000000   1.000000   0.000000    ...      7.000   \n",
       "2129  0.199115  10.000000   83.880515   1.000000   0.000000    ...      8.000   \n",
       "2130  1.000000   0.000000  100.000000   1.000000   0.000000    ...      8.000   \n",
       "2131  1.000000  10.000000   94.400137   0.101618   9.928095    ...      8.000   \n",
       "2132  1.000000  10.000000   49.800407   0.408807   1.513629    ...      9.000   \n",
       "2133  0.188912  10.000000   83.165949   0.122660   2.100550    ...      9.000   \n",
       "2134  1.000000   0.000000  100.000000   0.281863  10.000000    ...      7.000   \n",
       "2135  1.000000   0.000000  100.000000   1.000000  10.000000    ...      7.000   \n",
       "2136  1.000000   0.000000  100.000000   1.000000   0.000000    ...      6.000   \n",
       "2137  1.000000   0.000000  100.000000   0.030000  10.000000    ...     10.000   \n",
       "2138  1.000000   0.000000  100.000000   0.010285  10.000000    ...     10.000   \n",
       "2139  0.011123  10.000000   80.899062   0.005038   2.174639    ...     10.000   \n",
       "2140  1.000000   0.000000  100.000000   0.002391   1.155651    ...     10.000   \n",
       "2141  0.015031   1.964171    1.256086   0.134083  10.000000    ...      8.000   \n",
       "2142  0.098550  10.000000   61.599662   1.000000  10.000000    ...      8.000   \n",
       "2143  0.060135   1.262816   53.668078   1.000000   0.000000    ...      8.000   \n",
       "2144  0.172157   7.940519   16.699767   1.000000   0.000000    ...      8.000   \n",
       "2145  0.018177   2.918650    2.525304   0.186303  10.000000    ...      7.000   \n",
       "2146  0.096356  10.000000   68.399727   0.169525  10.000000    ...      7.000   \n",
       "2147  1.000000   0.000000  100.000000   2.891598  10.000000    ...      4.966   \n",
       "2148  2.504366   1.598284    0.000000   0.933531  10.000000    ...      4.966   \n",
       "2149  0.058825  10.000000   28.614024   0.088139   1.511200    ...      4.966   \n",
       "2150  2.877492   0.809600    0.000000   0.100000   2.048971    ...     12.000   \n",
       "2151  0.000003   0.100000   89.777949   1.000000   0.000000    ...      9.000   \n",
       "2152  0.003404  10.000000   93.199856   1.000000   0.000000    ...      9.000   \n",
       "2153  0.028819  10.000000    6.698028   1.000000   0.000000    ...      9.000   \n",
       "2154  0.007438   0.831225    0.000000   1.000000   0.000000    ...      4.966   \n",
       "2155  0.029195  10.000000    9.098033   1.000000   0.000000    ...      4.966   \n",
       "\n",
       "      A_cLogP  A_HBD  A_Lipinski      A_MW   B_HBA  B_cLogP  B_HBD  \\\n",
       "0     1.25780  3.010       0.099  402.4961   8.000  1.18000  5.000   \n",
       "1     1.25780  3.010       0.099  402.4961   8.000  1.18000  5.000   \n",
       "2     1.25780  3.010       0.099  402.4961   8.000  1.18000  5.000   \n",
       "3     1.25780  3.010       0.099  402.4961   8.000  1.18000  5.000   \n",
       "4     1.25780  3.010       0.099  402.4961   8.000  1.18000  5.000   \n",
       "5     1.25780  3.010       0.099  402.4961   8.000  1.18000  5.000   \n",
       "6     1.25780  3.010       0.099  402.4961   8.000  1.18000  5.000   \n",
       "7     1.25780  3.010       0.099  402.4961   8.000  1.18000  5.000   \n",
       "8     1.25780  3.010       0.099  402.4961   8.000  1.18000  5.000   \n",
       "9     1.25780  3.010       0.099  402.4961   8.000  1.18000  5.000   \n",
       "10    1.25780  3.010       0.099  402.4961  11.000  9.62000  4.000   \n",
       "11    1.25780  3.010       0.099  402.4961  11.000  9.62000  4.000   \n",
       "12    1.25780  3.010       0.099  402.4961  11.000  9.62000  4.000   \n",
       "13    1.25780  3.010       0.099  402.4961  11.000  9.62000  4.000   \n",
       "14    1.25780  3.010       0.099  402.4961  11.000  9.62000  4.000   \n",
       "15    1.25780  3.010       0.099  402.4961  11.000  9.62000  4.000   \n",
       "16    1.25780  3.010       0.099  402.4961  11.000  9.62000  4.000   \n",
       "17    1.25780  3.010       0.099  402.4961  11.000  9.62000  4.000   \n",
       "18    1.25780  3.010       0.099  402.4961  11.000  9.62000  4.000   \n",
       "19    1.25780  3.010       0.099  402.4961  11.000  9.62000  4.000   \n",
       "20    1.25780  3.010       0.099  402.4961  11.000  9.62000  4.000   \n",
       "21    1.25780  3.010       0.099  402.4961   8.000  4.43000  3.000   \n",
       "22    1.25780  3.010       0.099  402.4961   8.000  4.43000  3.000   \n",
       "23    1.25780  3.010       0.099  402.4961   8.000  4.43000  3.000   \n",
       "24    1.25780  3.010       0.099  402.4961   8.000  4.43000  3.000   \n",
       "25    1.25780  3.010       0.099  402.4961   8.000  4.43000  3.000   \n",
       "26    1.25780  3.010       0.099  402.4961   8.000  4.43000  3.000   \n",
       "27    1.25780  3.010       0.099  402.4961   8.000  4.43000  3.000   \n",
       "28    1.25780  3.010       0.099  402.4961   8.000  4.43000  3.000   \n",
       "29    1.25780  3.010       0.099  402.4961   8.000  4.43000  3.000   \n",
       "...       ...    ...         ...       ...     ...      ...    ...   \n",
       "2126  1.67000  1.000       0.000  457.5000   4.966  2.26238  3.277   \n",
       "2127  1.67000  1.000       0.000  457.5000   4.966  2.26238  3.277   \n",
       "2128  1.67000  1.000       0.000  457.5000   4.966  2.26238  3.277   \n",
       "2129  4.43000  3.000       0.000  463.6000   4.966  2.26238  3.277   \n",
       "2130  4.43000  3.000       0.000  463.6000   4.966  2.26238  3.277   \n",
       "2131  4.43000  3.000       0.000  463.6000   4.966  2.26238  3.277   \n",
       "2132  2.47000  1.000       0.000  462.6000   4.966  2.26238  3.277   \n",
       "2133  2.47000  1.000       0.000  462.6000   4.966  2.26238  3.277   \n",
       "2134  1.67000  1.000       0.000  457.5000   4.966  2.26238  3.277   \n",
       "2135  1.67000  1.000       0.000  457.5000   4.966  2.26238  3.277   \n",
       "2136  4.00000  3.000       0.000  421.5000   6.000  5.84000  1.000   \n",
       "2137  2.12000  5.000       0.000  419.5000   5.079  1.25780  3.010   \n",
       "2138  2.12000  5.000       0.000  419.5000   5.079  1.25780  3.010   \n",
       "2139  2.12000  5.000       0.000  419.5000   5.079  1.25780  3.010   \n",
       "2140  2.12000  5.000       0.000  419.5000   5.079  1.25780  3.010   \n",
       "2141  1.18000  5.000       0.000  428.9000   4.966  2.26238  3.277   \n",
       "2142  1.18000  5.000       0.000  428.9000   4.966  2.26238  3.277   \n",
       "2143  4.43000  3.000       0.000  463.6000   4.966  2.26238  3.277   \n",
       "2144  4.43000  3.000       0.000  463.6000   4.966  2.26238  3.277   \n",
       "2145  1.67000  1.000       0.000  457.5000   4.966  2.26238  3.277   \n",
       "2146  1.67000  1.000       0.000  457.5000   4.966  2.26238  3.277   \n",
       "2147  2.26238  3.277       0.213  419.7429   4.000  5.44000  0.000   \n",
       "2148  2.26238  3.277       0.213  419.7429   4.000  5.44000  0.000   \n",
       "2149  2.26238  3.277       0.213  419.7429   4.000  5.44000  0.000   \n",
       "2150  0.32000  7.000       3.000  543.5000   4.000  5.44000  0.000   \n",
       "2151  3.05000  2.000       1.000  651.8000  12.000  5.94000  2.000   \n",
       "2152  3.05000  2.000       1.000  651.8000  12.000  5.94000  2.000   \n",
       "2153  3.05000  2.000       1.000  651.8000  12.000  5.94000  2.000   \n",
       "2154  2.26238  3.277       0.213  419.7429  12.000  5.94000  2.000   \n",
       "2155  2.26238  3.277       0.213  419.7429  12.000  5.94000  2.000   \n",
       "\n",
       "      B_Lipinski      B_MW  \n",
       "0          0.000  428.9000  \n",
       "1          0.000  428.9000  \n",
       "2          0.000  428.9000  \n",
       "3          0.000  428.9000  \n",
       "4          0.000  428.9000  \n",
       "5          0.000  428.9000  \n",
       "6          0.000  428.9000  \n",
       "7          0.000  428.9000  \n",
       "8          0.000  428.9000  \n",
       "9          0.000  428.9000  \n",
       "10         3.000  945.5000  \n",
       "11         3.000  945.5000  \n",
       "12         3.000  945.5000  \n",
       "13         3.000  945.5000  \n",
       "14         3.000  945.5000  \n",
       "15         3.000  945.5000  \n",
       "16         3.000  945.5000  \n",
       "17         3.000  945.5000  \n",
       "18         3.000  945.5000  \n",
       "19         3.000  945.5000  \n",
       "20         3.000  945.5000  \n",
       "21         0.000  463.6000  \n",
       "22         0.000  463.6000  \n",
       "23         0.000  463.6000  \n",
       "24         0.000  463.6000  \n",
       "25         0.000  463.6000  \n",
       "26         0.000  463.6000  \n",
       "27         0.000  463.6000  \n",
       "28         0.000  463.6000  \n",
       "29         0.000  463.6000  \n",
       "...          ...       ...  \n",
       "2126       0.213  419.7429  \n",
       "2127       0.213  419.7429  \n",
       "2128       0.213  419.7429  \n",
       "2129       0.213  419.7429  \n",
       "2130       0.213  419.7429  \n",
       "2131       0.213  419.7429  \n",
       "2132       0.213  419.7429  \n",
       "2133       0.213  419.7429  \n",
       "2134       0.213  419.7429  \n",
       "2135       0.213  419.7429  \n",
       "2136       1.000  475.4000  \n",
       "2137       0.099  402.4961  \n",
       "2138       0.099  402.4961  \n",
       "2139       0.099  402.4961  \n",
       "2140       0.099  402.4961  \n",
       "2141       0.213  419.7429  \n",
       "2142       0.213  419.7429  \n",
       "2143       0.213  419.7429  \n",
       "2144       0.213  419.7429  \n",
       "2145       0.213  419.7429  \n",
       "2146       0.213  419.7429  \n",
       "2147       1.000  413.5000  \n",
       "2148       1.000  413.5000  \n",
       "2149       1.000  413.5000  \n",
       "2150       1.000  413.5000  \n",
       "2151       3.000  778.9000  \n",
       "2152       3.000  778.9000  \n",
       "2153       3.000  778.9000  \n",
       "2154       3.000  778.9000  \n",
       "2155       3.000  778.9000  \n",
       "\n",
       "[2145 rows x 21 columns]"
      ]
     },
     "execution_count": 528,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "features"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 305,
   "metadata": {
    "collapsed": false,
    "scrolled": false
   },
   "outputs": [],
   "source": [
    "# mono_info.to_csv('Combined_data/drugInfo_combined.csv', index=False)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 529,
   "metadata": {
    "collapsed": true
   },
   "outputs": [],
   "source": [
    "features_int = pd.get_dummies(features, columns=['CELL_LINE', 'COMPOUND_A', 'COMPOUND_B'])\n",
    "features_target_int = pd.get_dummies(features_targets, columns=['CELL_LINE', 'COMPOUND_A', 'COMPOUND_B'])"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 228,
   "metadata": {
    "collapsed": false
   },
   "outputs": [],
   "source": [
    "features_int.to_csv('Combined_data/drugInfo_combined_dummy.csv', index=False)"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "# Algorithm Training"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 168,
   "metadata": {
    "collapsed": true
   },
   "outputs": [],
   "source": [
    "from sklearn.ensemble import RandomForestRegressor, AdaBoostRegressor, GradientBoostingRegressor\n",
    "from sklearn.linear_model import LinearRegression\n",
    "from sklearn.svm import SVR\n",
    "from sklearn.tree import DecisionTreeRegressor\n",
    "from sklearn.grid_search import GridSearchCV\n",
    "from sklearn import cross_validation, preprocessing"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 590,
   "metadata": {
    "collapsed": false
   },
   "outputs": [],
   "source": [
    "Xpd = features_int\n",
    "Xpd = Xpd.iloc[np.random.permutation(len(Xpd))]\n",
    "Ypd = orig_data['SYNERGY_SCORE'].reindex(Xpd.index)\n",
    "Xvals = Xpd.values\n",
    "yvals = Ypd.values"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 610,
   "metadata": {
    "collapsed": false
   },
   "outputs": [],
   "source": [
    "X_train, X_test, y_train, y_test = cross_validation.train_test_split(Xvals, yvals)"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "## Random Forest"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 615,
   "metadata": {
    "collapsed": false
   },
   "outputs": [
    {
     "data": {
      "text/plain": [
       "RandomForestRegressor(bootstrap=True, criterion='mse', max_depth=None,\n",
       "           max_features=0.25, max_leaf_nodes=None, min_samples_leaf=1,\n",
       "           min_samples_split=2, min_weight_fraction_leaf=0.0,\n",
       "           n_estimators=50, n_jobs=1, oob_score=False, random_state=None,\n",
       "           verbose=0, warm_start=False)"
      ]
     },
     "execution_count": 615,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "rfr = RandomForestRegressor(max_features=0.25, max_leaf_nodes=None, \n",
    "                            min_samples_leaf = 1, max_depth = None, n_estimators = 50)\n",
    "rfr.fit(X_train, y_train)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 616,
   "metadata": {
    "collapsed": false
   },
   "outputs": [
    {
     "data": {
      "text/plain": [
       "0.32006198677250497"
      ]
     },
     "execution_count": 616,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "rfr.score(X_test, y_test)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 467,
   "metadata": {
    "collapsed": true
   },
   "outputs": [],
   "source": [
    "n_features = Xvals.shape[1]\n",
    "param_grid_rf = {\n",
    "    'n_estimators': [30, 50, 80],\n",
    "    'max_features': ['auto', 0.25],\n",
    "    'max_leaf_nodes': [None, n_features],\n",
    "    'max_depth': [None, 10]\n",
    "}\n",
    "rfr = RandomForestRegressor()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 324,
   "metadata": {
    "collapsed": false
   },
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "{'max_features': 0.25, 'max_depth': None, 'n_estimators': 80, 'max_leaf_nodes': None}\n",
      "0.243636122151\n",
      "{'max_features': 0.25, 'max_depth': None, 'n_estimators': 50, 'max_leaf_nodes': 205}\n",
      "0.248752662997\n",
      "{'max_features': 0.25, 'max_depth': 10, 'n_estimators': 50, 'max_leaf_nodes': 205}\n",
      "0.241060998828\n",
      "{'max_features': 0.25, 'max_depth': None, 'n_estimators': 50, 'max_leaf_nodes': 205}\n",
      "0.247288205502\n",
      "{'max_features': 0.25, 'max_depth': None, 'n_estimators': 80, 'max_leaf_nodes': 205}\n",
      "0.250412541306\n"
     ]
    }
   ],
   "source": [
    "grid_search_rf = GridSearchCV(rfr, param_grid_rf, n_jobs=2)\n",
    "for i in range(3):\n",
    "    #X_train, X_test, y_train, y_test = cross_validation.train_test_split(Xvals, yvals)\n",
    "    grid_search_rf.fit(X_train, y_train)\n",
    "    print(grid_search_rf.best_params_)\n",
    "    print(grid_search_rf.best_score_)"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "## Adaboost"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 155,
   "metadata": {
    "collapsed": true
   },
   "outputs": [],
   "source": [
    "param_grid_ab = {\n",
    "    'n_estimators': [50, 100, 150],\n",
    "    'learning_rate': [0.5, 1, 2],\n",
    "    'loss': ['linear', 'square', 'exponential']\n",
    "}\n",
    "abr = AdaBoostRegressor()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 156,
   "metadata": {
    "collapsed": false
   },
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "{'n_estimators': 50, 'loss': 'square', 'learning_rate': 0.5}\n",
      "0.224334652497\n",
      "{'n_estimators': 50, 'loss': 'square', 'learning_rate': 0.5}\n",
      "0.220437655582\n",
      "{'n_estimators': 50, 'loss': 'square', 'learning_rate': 0.5}\n",
      "0.220980321537\n",
      "{'n_estimators': 50, 'loss': 'square', 'learning_rate': 0.5}\n",
      "0.235122606078\n",
      "{'n_estimators': 50, 'loss': 'square', 'learning_rate': 0.5}\n",
      "0.218709309598\n"
     ]
    }
   ],
   "source": [
    "grid_search_ab = GridSearchCV(abr, param_grid_ab, n_jobs=2)\n",
    "for i in range(5):\n",
    "    grid_search_ab.fit(X_train, y_train)\n",
    "    print(grid_search_ab.best_params_)\n",
    "    print(grid_search_ab.best_score_)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 619,
   "metadata": {
    "collapsed": false
   },
   "outputs": [
    {
     "data": {
      "text/plain": [
       "AdaBoostRegressor(base_estimator=None, learning_rate=0.5, loss='square',\n",
       "         n_estimators=50, random_state=None)"
      ]
     },
     "execution_count": 619,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "abr = AdaBoostRegressor(loss='square', learning_rate=0.5)\n",
    "abr.fit(X_train, y_train)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 620,
   "metadata": {
    "collapsed": false
   },
   "outputs": [
    {
     "data": {
      "text/plain": [
       "0.097297678915674091"
      ]
     },
     "execution_count": 620,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "abr.score(X_test, y_test)"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "## Gradient Boosting"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 152,
   "metadata": {
    "collapsed": true
   },
   "outputs": [],
   "source": [
    "param_grid_gb = {\n",
    "    'learning_rate': [0.03, 0.1],\n",
    "    'n_estimators': [100, 150]\n",
    "}\n",
    "gbr = GradientBoostingRegressor()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 154,
   "metadata": {
    "collapsed": false
   },
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "{'n_estimators': 150, 'loss': 'ls', 'learning_rate': 0.1}\n",
      "0.360406623994\n",
      "{'n_estimators': 100, 'loss': 'ls', 'learning_rate': 0.1}\n",
      "0.356729241578\n",
      "{'n_estimators': 150, 'loss': 'ls', 'learning_rate': 0.1}\n",
      "0.361496485933\n",
      "{'n_estimators': 100, 'loss': 'ls', 'learning_rate': 0.1}\n",
      "0.356489154861\n",
      "{'n_estimators': 150, 'loss': 'ls', 'learning_rate': 0.1}\n",
      "0.358380698419\n"
     ]
    }
   ],
   "source": [
    "grid_search_gb = GridSearchCV(gbr, param_grid_gb, n_jobs=2)\n",
    "for i in range(5):\n",
    "    grid_search_gb.fit(X_train, y_train)\n",
    "    print(grid_search_gb.best_params_)\n",
    "    print(grid_search_gb.best_score_)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 621,
   "metadata": {
    "collapsed": false
   },
   "outputs": [
    {
     "data": {
      "text/plain": [
       "GradientBoostingRegressor(alpha=0.9, init=None, learning_rate=0.2, loss='ls',\n",
       "             max_depth=3, max_features=None, max_leaf_nodes=None,\n",
       "             min_samples_leaf=1, min_samples_split=2,\n",
       "             min_weight_fraction_leaf=0.0, n_estimators=100,\n",
       "             random_state=None, subsample=1.0, verbose=0, warm_start=False)"
      ]
     },
     "execution_count": 621,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "gbr = GradientBoostingRegressor(loss='ls', n_estimators=100, learning_rate=0.2)\n",
    "gbr.fit(X_train, y_train)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 622,
   "metadata": {
    "collapsed": false
   },
   "outputs": [
    {
     "data": {
      "text/plain": [
       "0.29489958144525563"
      ]
     },
     "execution_count": 622,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "gbr.score(X_test, y_test)"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "## SVR"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 139,
   "metadata": {
    "collapsed": true
   },
   "outputs": [],
   "source": [
    "Xnorm = preprocessing.normalize(Xvals)\n",
    "Ynorm = preprocessing.normalize(yvals).reshape(2145,)\n",
    "X_train_norm, X_test_norm, y_train_norm, y_test_norm = cross_validation.train_test_split(Xnorm, Ynorm)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 142,
   "metadata": {
    "collapsed": true
   },
   "outputs": [],
   "source": [
    "param_grid_svr = {\n",
    "    'C': [30, 90, 300],\n",
    "    'epsilon': [0.3, 1, 3],\n",
    "    'gamma': [0.0, 0.0015, 0.001]\n",
    "}\n",
    "svr = SVR()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 146,
   "metadata": {
    "collapsed": false
   },
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "{'gamma': 0.001, 'epsilon': 3, 'C': 30}\n",
      "0.0888186959493\n",
      "{'gamma': 0.001, 'epsilon': 3, 'C': 30}\n",
      "0.0978181476137\n",
      "{'gamma': 0.001, 'epsilon': 3, 'C': 30}\n",
      "0.0558121337973\n",
      "{'gamma': 0.001, 'epsilon': 3, 'C': 30}\n",
      "0.122564793948\n",
      "{'gamma': 0.001, 'epsilon': 3, 'C': 30}\n",
      "0.092900866255\n"
     ]
    }
   ],
   "source": [
    "grid_search = GridSearchCV(svr, param_grid_svr, n_jobs=2)\n",
    "for i in range(5):\n",
    "    X_train_norm, X_test_norm, y_train_norm, y_test_norm = cross_validation.train_test_split(Xvals, yvals)\n",
    "    grid_search.fit(X_train_norm, y_train_norm)\n",
    "    print(grid_search.best_params_)\n",
    "    print(grid_search.best_score_)"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "## Synergy Distribution"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 19,
   "metadata": {
    "collapsed": true
   },
   "outputs": [],
   "source": [
    "%matplotlib inline\n",
    "import matplotlib.pyplot as plt"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 216,
   "metadata": {
    "collapsed": false
   },
   "outputs": [
    {
     "data": {
      "text/plain": [
       "(array([0, 3, 1]), array([0, 1, 2, 3]))"
      ]
     },
     "execution_count": 216,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "np.histogram([1, 1, 2, 1], bins=[0, 1, 2, 3])"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 25,
   "metadata": {
    "collapsed": false
   },
   "outputs": [],
   "source": [
    "yvals_array = yvals.reshape(2156,1)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 30,
   "metadata": {
    "collapsed": false
   },
   "outputs": [
    {
     "data": {
      "image/png": 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Z+Ivu8ZXA1kXof0nX21TX653A+Yv8Gr4YWA3c1Tf2PuBt3eONwHtO9HUdU4/LgYu6x08H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\n",
      "text/plain": [
       "<matplotlib.figure.Figure at 0x10a39c1d0>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    }
   ],
   "source": [
    "num_bins = 50\n",
    "n, bins, patches = plt.hist(yvals_array, num_bins, normed=1, facecolor='green', alpha=0.5)\n",
    "plt.show()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 27,
   "metadata": {
    "collapsed": false
   },
   "outputs": [
    {
     "data": {
      "text/plain": [
       "(2156, 1)"
      ]
     },
     "execution_count": 27,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "yvals_array.shape"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 31,
   "metadata": {
    "collapsed": false
   },
   "outputs": [
    {
     "data": {
      "text/plain": [
       "8.3351825688102963"
      ]
     },
     "execution_count": 31,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "yvals.mean()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 32,
   "metadata": {
    "collapsed": false
   },
   "outputs": [
    {
     "data": {
      "text/plain": [
       "-588.22069999999997"
      ]
     },
     "execution_count": 32,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "yvals.min()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 33,
   "metadata": {
    "collapsed": false
   },
   "outputs": [
    {
     "data": {
      "text/plain": [
       "6737.1750000000002"
      ]
     },
     "execution_count": 33,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "yvals.max()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 34,
   "metadata": {
    "collapsed": false
   },
   "outputs": [
    {
     "data": {
      "text/plain": [
       "153.86866733126314"
      ]
     },
     "execution_count": 34,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "yvals.std()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 65,
   "metadata": {
    "collapsed": false
   },
   "outputs": [
    {
     "data": {
      "text/plain": [
       "array([-322.917 , -398.8432, -317.6475, -588.2207, -330.2374, -310.7436,\n",
       "       -364.0594, -463.7951, -373.361 ])"
      ]
     },
     "execution_count": 65,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "yvals[np.where(yvals < -300)]"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 39,
   "metadata": {
    "collapsed": false
   },
   "outputs": [
    {
     "data": {
      "image/png": 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      "text/plain": [
       "<matplotlib.figure.Figure at 0x10a39c470>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    }
   ],
   "source": [
    "num_bins = 50\n",
    "n, bins, patches = plt.hist(yvals_array, num_bins, normed=1, facecolor='green', range=(-200, 200))\n",
    "plt.show()"
   ]
  }
 ],
 "metadata": {
  "kernelspec": {
   "display_name": "Python 3",
   "language": "python",
   "name": "python3"
  },
  "language_info": {
   "codemirror_mode": {
    "name": "ipython",
    "version": 3
   },
   "file_extension": ".py",
   "mimetype": "text/x-python",
   "name": "python",
   "nbconvert_exporter": "python",
   "pygments_lexer": "ipython3",
   "version": "3.4.3"
  }
 },
 "nbformat": 4,
 "nbformat_minor": 0
}