,dose_1,dose_2,dose_3,dose_4,dose_5,dose_6
5 alpha reductase inhibitor,0.97,0.955,0.981,0.738,0.91,0.548
ACAT inhibitor,0.806,0.479,0.658,0.955,0.868,0.265
AKT inhibitor,0.246,0.246,0.038,0.008,0.025,0.0
ALK tyrosine kinase receptor inhibitor,0.194,0.783,0.562,0.164,0.015,0.018
ATP channel blocker,0.41,0.196,0.351,0.863,0.791,0.817
ATPase inhibitor,0.495,0.535,0.441,0.453,0.591,0.766
Aurora kinase inhibitor,0.137,0.005,0.0,0.0,0.0,0.0
BCL inhibitor,0.249,0.044,0.137,0.025,0.039,0.056
Bcr-Abl kinase inhibitor,0.992,0.976,0.687,0.717,0.815,0.251
Bruton's tyrosine kinase (BTK) inhibitor,0.252,0.384,0.379,0.52,0.017,0.022
CC chemokine receptor antagonist,0.291,0.564,0.419,0.121,0.063,0.023
CCK receptor antagonist,0.341,0.11,0.893,0.543,0.648,0.962
CDK inhibitor,0.013,0.0,0.0,0.0,0.0,0.0
CFTR channel agonist,0.757,0.9,0.724,0.829,0.947,0.501
DNA alkylating agent,0.48,0.72,0.319,0.004,0.002,0.0
DNA directed DNA polymerase inhibitor,0.241,0.008,0.005,0.005,0.043,0.216
DNA inhibitor,0.457,0.474,0.527,0.527,0.401,0.031
DNA methyltransferase inhibitor,0.218,0.167,0.086,0.011,0.039,0.055
DNA polymerase inhibitor,0.866,0.692,0.592,0.49,0.827,0.727
DNA synthesis inhibitor,0.483,0.813,0.871,0.732,0.648,0.799
EGFR inhibitor,0.003,0.0,0.0,0.0,0.0,0.0
EGFR inhibitor|protein tyrosine kinase inhibitor,0.766,0.755,0.476,0.291,0.213,0.252
FGFR inhibitor|PDGFR tyrosine kinase receptor inhibitor|VEGFR inhibitor,0.603,0.571,0.433,0.876,0.746,0.499
FGFR inhibitor|VEGFR inhibitor,0.138,0.31,0.582,0.564,0.518,0.087
GABA receptor antagonist,0.0,0.0,0.003,0.007,0.0,0.044
GABA receptor modulator,0.001,0.048,0.016,0.035,0.01,0.192
HCV inhibitor,0.451,0.351,0.406,0.637,0.078,0.142
HDAC inhibitor,0.088,0.017,0.009,0.0,0.0,0.0
HIV integrase inhibitor,0.307,0.124,0.391,0.434,0.148,0.271
HIV protease inhibitor,0.207,0.564,0.341,0.6,0.653,0.273
HMGCR inhibitor,0.536,0.725,0.146,0.564,0.139,0.222
HSP inhibitor,0.052,0.0,0.0,0.0,0.0,0.0
JAK inhibitor,0.328,0.319,0.055,0.179,0.218,0.005
JNK inhibitor,0.792,0.847,0.834,0.544,0.293,0.43
KIT inhibitor|PDGFR tyrosine kinase receptor inhibitor|VEGFR inhibitor,0.397,0.069,0.028,0.503,0.494,0.153
L-type calcium channel blocker,0.272,0.831,0.403,0.578,0.148,0.317
MDM inhibitor,0.119,0.076,0.007,0.007,0.001,0.0
MEK inhibitor,0.0,0.0,0.0,0.0,0.0,0.0
NFkB pathway inhibitor,0.255,0.289,0.232,0.359,0.391,0.734
O6-alkylguanine-DNA alkyltransferase inhibitor,0.554,0.386,0.205,0.663,0.256,0.186
P glycoprotein inhibitor,0.752,0.736,0.114,0.203,0.486,0.081
PARP inhibitor,0.116,0.357,0.127,0.198,0.057,0.229
PDGFR tyrosine kinase receptor inhibitor|VEGFR inhibitor,0.693,0.24,0.218,0.498,0.28,0.527
PI3K inhibitor,0.186,0.067,0.099,0.022,0.059,0.18
PKC activator,0.0,0.0,0.0,0.0,0.0,0.0
PKC inhibitor,0.59,0.641,0.784,0.205,0.081,0.105
PLK inhibitor,0.0,0.0,0.0,0.0,0.0,0.0
PPAR receptor agonist,0.617,0.837,0.334,0.054,0.63,0.551
Pim kinase inhibitor,0.708,0.91,0.196,0.193,0.204,0.083
RAF inhibitor,0.671,0.687,0.388,0.948,0.611,0.323
RNA polymerase inhibitor,0.008,0.02,0.107,0.195,0.025,0.16
RNA synthesis inhibitor,0.031,0.591,0.91,0.933,0.939,0.932
T-type calcium channel blocker,0.799,0.92,0.808,0.241,0.836,0.424
TGF beta receptor inhibitor,0.119,0.041,0.097,0.025,0.068,0.081
TRPV antagonist,0.347,0.503,0.301,0.072,0.079,0.012
VEGFR inhibitor,0.382,0.331,0.238,0.324,0.297,0.148
XIAP inhibitor,0.462,0.044,0.204,0.04,0.053,0.118
acetylcholine receptor agonist,0.311,0.212,0.159,0.512,0.756,0.879
acetylcholine receptor antagonist,0.323,0.044,0.034,0.097,0.984,0.682
acetylcholine release enhancer,0.725,0.982,0.91,0.845,0.828,0.93
acetylcholinesterase inhibitor,0.665,0.306,0.876,0.871,0.881,0.916
adenosine receptor agonist,0.857,0.67,0.476,0.237,0.166,0.098
adenosine receptor antagonist,0.141,0.135,0.063,0.817,0.853,0.783
adenylyl cyclase activator,0.487,0.223,0.244,0.233,0.085,0.002
adrenergic inhibitor,0.903,0.766,0.738,0.901,0.919,0.84
adrenergic receptor agonist,0.605,0.142,0.115,0.059,0.644,0.895
adrenergic receptor antagonist,0.426,0.138,0.165,0.063,0.372,0.778
alcohol dehydrogenase inhibitor,0.988,0.978,0.573,0.788,0.812,0.257
aldose reductase inhibitor,0.017,0.117,0.008,0.016,0.008,0.029
androgen receptor antagonist,0.097,0.07,0.421,0.924,0.833,0.689
androgen receptor modulator,0.816,0.232,0.423,0.513,0.456,0.708
angiogenesis inhibitor,0.11,0.234,0.505,0.815,0.964,0.423
angiogenesis inhibitor|tumor necrosis factor production inhibitor,0.921,0.845,0.498,0.616,0.814,0.844
angiotensin converting enzyme inhibitor,0.734,0.281,0.048,0.009,0.05,0.449
angiotensin receptor antagonist,0.234,0.228,0.301,0.347,0.403,0.992
anthelmintic agent,0.003,0.122,0.016,0.006,0.03,0.629
antimalarial agent,0.745,0.59,0.924,0.968,0.273,0.126
antioxidant,0.775,0.495,0.743,0.599,0.337,0.66
antithyroid agent,0.989,0.919,0.986,0.998,0.996,0.944
aromatase inhibitor,0.06,0.278,0.367,0.418,0.043,0.417
bacterial 30S ribosomal subunit inhibitor,0.15,0.769,0.787,0.893,0.96,0.748
bacterial 50S ribosomal subunit inhibitor,0.702,0.507,0.514,0.366,0.568,0.984
bacterial DNA gyrase inhibitor,0.061,0.224,0.043,0.306,0.513,0.273
bacterial antifolate,0.994,0.846,0.859,0.557,0.636,0.462
bacterial cell wall synthesis inhibitor,0.134,0.61,0.19,0.516,0.29,0.436
benzodiazepine receptor agonist,0.11,0.506,0.256,0.44,0.158,0.689
benzodiazepine receptor antagonist,0.588,0.591,0.428,0.146,0.161,0.191
beta lactamase inhibitor,0.2,0.453,0.497,0.764,0.499,0.913
beta-secretase inhibitor,0.849,0.913,0.618,0.829,0.715,0.694
c-Met inhibitor,0.308,0.374,0.144,0.164,0.124,0.592
calcineurin inhibitor,0.432,0.952,0.843,0.836,0.117,0.022
calcitonin antagonist,0.881,0.335,0.209,0.072,0.213,0.605
calcium channel blocker,0.732,0.216,0.014,0.28,0.257,0.334
calmodulin antagonist,0.942,0.94,0.742,0.95,0.785,0.505
cannabinoid receptor agonist,0.868,0.947,0.805,0.163,0.73,0.79
cannabinoid receptor antagonist,0.256,0.217,0.598,0.588,0.205,0.191
cannabinoid receptor inverse agonist,0.429,0.518,0.829,0.58,0.277,0.333
carbonic anhydrase inhibitor,0.735,0.63,0.709,0.673,0.953,0.874
carnitine palmitoyltransferase inhibitor,0.004,0.046,0.009,0.013,0.081,0.206
cathepsin inhibitor,0.454,0.564,0.964,0.787,0.645,0.918
chelating agent,0.184,0.115,0.044,0.05,0.018,0.018
cholesterol inhibitor,0.013,0.0,0.005,0.019,0.127,0.149
cholesteryl ester transfer protein inhibitor,0.287,0.486,0.251,0.641,0.715,0.373
coagulation factor inhibitor,0.539,0.443,0.381,0.741,0.518,0.862
cyclooxygenase inhibitor,0.101,0.409,0.611,0.151,0.242,0.835
cyclooxygenase inhibitor|prostanoid receptor antagonist,0.929,0.959,0.435,0.472,0.97,0.972
cytochrome P450 inhibitor,0.934,0.942,0.882,0.443,0.759,0.476
dehydrogenase inhibitor|inositol monophosphatase inhibitor,0.817,0.005,0.0,0.0,0.0,0.0
diacylglycerol O acyltransferase inhibitor,0.311,0.425,0.087,0.324,0.137,0.728
dihydrofolate reductase inhibitor,0.617,0.916,0.65,0.704,0.602,0.247
dihydroorotate dehydrogenase inhibitor,0.2,0.435,0.454,0.376,0.522,0.004
dipeptidyl peptidase inhibitor,0.929,0.866,0.355,0.622,0.883,0.507
diuretic,0.188,0.178,0.083,0.027,0.057,0.631
dopamine receptor agonist,0.895,0.813,0.525,0.589,0.241,0.785
dopamine receptor antagonist,0.068,0.095,0.033,0.073,0.05,0.024
dopamine receptor antagonist|serotonin receptor antagonist,0.416,0.582,0.748,0.251,0.427,0.389
dopamine reuptake inhibitor,0.69,0.32,0.609,0.856,0.797,0.418
elastase inhibitor,0.491,0.498,0.368,0.151,0.134,0.183
endothelin receptor antagonist,0.602,0.678,0.967,0.962,0.561,0.578
estrogen receptor agonist,0.177,0.077,0.018,0.368,0.349,0.191
estrogen receptor agonist|estrogenic hormone,0.699,0.792,0.79,0.907,0.625,0.434
estrogen receptor antagonist,0.018,0.239,0.514,0.415,0.193,0.031
estrogen receptor antagonist|selective estrogen receptor modulator (SERM),0.616,0.458,0.191,0.04,0.022,0.002
farnesyltransferase inhibitor,0.277,0.521,0.144,0.083,0.175,0.071
fatty acid synthase inhibitor,0.034,0.023,0.052,0.035,0.023,0.014
focal adhesion kinase inhibitor,0.592,0.272,0.331,0.392,0.0,0.0
free radical scavenger,0.763,0.839,0.989,0.991,0.58,0.202
fungal squalene epoxidase inhibitor,0.473,0.876,0.98,0.865,0.313,0.084
gamma secretase inhibitor,0.853,0.27,0.165,0.041,0.01,0.09
gap junction modulator,0.476,0.327,0.228,0.718,0.311,0.406
glucocorticoid receptor agonist,0.0,0.0,0.0,0.0,0.0,0.0
glucose dependent insulinotropic receptor agonist,0.6,0.482,0.221,0.662,0.252,0.009
glucosidase inhibitor,0.067,0.241,0.161,0.147,0.22,0.518
glutamate receptor agonist,0.763,0.757,0.778,0.629,0.746,0.58
glutamate receptor antagonist,0.238,0.367,0.873,0.488,0.51,0.583
glutamate receptor modulator,0.644,0.452,0.753,0.774,0.065,0.089
glycine transporter inhibitor,0.061,0.094,0.221,0.302,0.47,0.537
gonadotropin releasing factor hormone receptor agonist,0.22,0.103,0.136,0.612,0.51,0.963
growth hormone secretagogue receptor agonist,0.366,0.347,0.434,0.202,0.602,0.698
guanylate cyclase stimulant,0.555,0.421,0.592,0.933,0.98,0.913
hepatocyte growth factor receptor inhibitor,0.213,0.393,0.219,0.299,0.17,0.509
histamine receptor agonist,0.04,0.034,0.009,0.057,0.001,0.408
histamine receptor antagonist,0.886,0.568,0.294,0.52,0.269,0.694
histamine receptor modulator,0.345,0.424,0.169,0.299,0.609,0.214
hypoxia inducible factor inhibitor,0.462,0.603,0.14,0.021,0.05,0.068
immunostimulant,0.306,0.262,0.638,0.274,0.385,0.253
immunosuppressant,0.576,0.329,0.648,0.729,0.52,0.712
inosine monophosphate dehydrogenase inhibitor,0.741,0.568,0.865,0.028,0.005,0.001
insulin secretagogue,0.722,0.488,0.701,0.502,0.887,0.67
insulin sensitizer,0.953,0.808,0.431,0.614,0.926,0.45
insulin sensitizer|PPAR receptor agonist,0.632,0.514,0.466,0.317,0.077,0.035
integrin antagonist,0.787,0.521,0.307,0.656,0.661,0.216
isocitrate dehydrogenase inhibitor,0.873,0.715,0.473,0.87,0.891,0.58
leukotriene receptor antagonist,0.206,0.111,0.185,0.251,0.357,0.647
leukotriene synthesis inhibitor,0.845,0.669,0.593,0.402,0.163,0.597
lipase inhibitor,0.544,0.413,0.091,0.601,0.561,0.431
lipid peroxidase inhibitor,0.471,0.296,0.345,0.294,0.593,0.475
lipoxygenase inhibitor,0.13,0.02,0.13,0.391,0.333,0.979
mTOR inhibitor,0.008,0.0,0.0,0.0,0.0,0.0
mTOR inhibitor|PI3K inhibitor,0.085,0.008,0.001,0.0,0.0,0.0
matrix metalloprotease inhibitor,0.957,0.969,0.968,0.838,0.231,0.164
membrane integrity inhibitor,0.005,0.03,0.009,0.001,0.002,0.023
membrane permeability inhibitor,0.913,0.913,0.957,0.891,0.868,0.724
microtubule inhibitor,0.287,0.568,0.365,0.11,0.063,0.061
mineralocorticoid receptor antagonist,0.682,0.349,0.278,0.215,0.072,0.395
monoamine oxidase inhibitor,0.215,0.057,0.021,0.003,0.007,0.268
mucolytic agent,0.407,0.645,0.698,0.53,0.85,0.955
neprilysin inhibitor,0.73,0.718,0.221,0.634,0.79,0.778
neurotrophic agent,0.076,0.078,0.19,0.226,0.116,0.24
nitric oxide donor,0.922,0.829,0.461,0.428,0.594,0.197
nitric oxide stimulant,0.921,0.925,0.949,0.994,0.861,0.728
nitric oxide synthase inhibitor,0.826,0.682,0.59,0.971,0.687,0.281
non-nucleoside reverse transcriptase inhibitor,0.897,0.995,0.618,0.68,0.367,0.068
norepinephrine reputake inhibitor|tricyclic antidepressant,0.004,0.046,0.126,0.477,0.376,0.36
nuclear factor erythroid derived|like (NRF2) activator,0.241,0.239,0.234,0.354,0.409,0.489
nucleoside reverse transcriptase inhibitor,0.661,0.417,0.303,0.498,0.47,0.951
opioid receptor agonist,0.03,0.028,0.032,0.093,0.052,0.162
opioid receptor antagonist,0.652,0.292,0.328,0.363,0.711,0.419
p38 MAPK inhibitor,0.007,0.001,0.0,0.003,0.022,0.346
phosphodiesterase inhibitor,0.228,0.142,0.496,0.274,0.186,0.657
platelet activating factor receptor antagonist,0.164,0.24,0.015,0.845,0.949,0.912
platelet aggregation inhibitor,0.309,0.318,0.662,0.675,0.794,0.678
potassium channel activator,0.028,0.066,0.881,0.337,0.543,0.916
potassium channel blocker,0.168,0.197,0.031,0.014,0.954,0.901
progesterone receptor agonist,0.365,0.533,0.3,0.378,0.038,0.015
progesterone receptor antagonist,0.14,0.278,0.474,0.647,0.752,0.346
prostanoid receptor agonist,0.884,0.872,0.915,0.943,0.981,1.0
prostanoid receptor antagonist,0.012,0.008,0.003,0.044,0.87,0.918
protein synthesis inhibitor,0.878,0.235,0.269,0.304,0.429,0.418
protein synthesis stimulant,0.146,0.054,0.169,0.349,0.575,0.413
protein tyrosine kinase inhibitor,0.266,0.48,0.716,0.654,0.085,0.162
purine antagonist,0.593,0.411,0.106,0.001,0.001,0.003
purinergic receptor antagonist,0.6,0.384,0.736,0.742,0.835,0.827
renin inhibitor,0.232,0.294,0.092,0.094,0.258,0.226
retinoid receptor agonist,0.319,0.008,0.233,0.02,0.064,0.042
rho associated kinase inhibitor,0.108,0.197,0.101,0.517,0.04,0.018
ribonucleotide reductase inhibitor,0.409,0.459,0.289,0.412,0.059,0.004
selective serotonin reuptake inhibitor (SSRI),0.734,0.674,0.663,0.321,0.215,0.056
serotonin receptor agonist,0.667,0.489,0.558,0.278,0.757,0.951
serotonin receptor agonist|serotonin receptor antagonist,0.127,0.334,0.322,0.065,0.212,0.111
serotonin receptor antagonist,0.507,0.541,0.477,0.685,0.676,0.809
serotonin reuptake inhibitor,0.759,0.575,0.298,0.072,0.141,0.349
serotonin transporter (SERT) inhibitor,0.952,0.822,0.449,0.295,0.228,0.531
serotonin–norepinephrine reuptake inhibitor (SNRI),0.895,0.965,0.905,0.533,0.623,0.559
sigma receptor agonist,0.612,0.103,0.337,0.336,0.822,0.923
sigma receptor antagonist,0.498,0.808,0.815,0.627,0.674,0.659
sodium channel blocker,0.436,0.096,0.083,0.024,0.277,0.864
sodium/glucose cotransporter inhibitor,0.332,0.163,0.095,0.028,0.019,0.012
sodium/potassium/chloride transporter inhibitor,0.519,0.438,0.644,0.66,0.627,0.57
sterol demethylase inhibitor,0.681,0.713,0.446,0.606,0.948,0.183
sulfonylurea,0.117,0.167,0.164,0.316,0.316,0.264
tachykinin antagonist,0.248,0.099,0.231,0.548,0.201,0.053
thrombin inhibitor,0.989,0.667,0.227,0.308,0.376,0.713
thromboxane receptor antagonist,0.561,0.621,0.776,0.253,0.555,0.767
thromboxane synthase inhibitor,0.0,0.001,0.0,0.002,0.012,0.008
thymidylate synthase inhibitor,0.158,0.873,0.883,0.404,0.805,0.355
thyrotropin releasing hormone receptor agonist,0.434,0.108,0.028,0.011,0.032,0.092
topoisomerase inhibitor,0.092,0.86,0.512,0.128,0.0,0.005
tricyclic antidepressant,0.837,0.735,0.786,0.455,0.401,0.06
tryptophan hydroxylase inhibitor,0.974,0.948,0.71,0.696,0.477,0.839
tubulin polymerization inhibitor,0.506,0.258,0.033,0.0,0.0,0.0
tumor necrosis factor production inhibitor,0.525,0.337,0.559,0.487,0.58,0.674
tumor necrosis factor release inhibitor,0.606,0.253,0.559,0.819,0.456,0.856
tyrosinase inhibitor,0.278,0.312,0.264,0.363,0.286,0.28
tyrosine kinase inhibitor,0.005,0.016,0.683,0.536,0.953,0.533
vasopressin receptor antagonist,0.396,0.537,0.704,0.708,0.129,0.109
vesicular monoamine transporter inhibitor,0.626,0.356,0.347,0.698,0.83,0.892
vitamin D receptor agonist,0.317,0.058,0.506,0.262,0.055,0.051
vitamin K antagonist,0.021,0.011,0.035,0.048,0.014,0.037
voltage-gated sodium channel blocker,0.955,0.434,0.236,0.765,0.998,0.999
xanthine oxidase inhibitor,0.151,0.086,0.099,0.098,0.238,0.44