TITLE,Ntraining,Ndescriptors,log(Ntraining),log(Ndescriptors),Kaggle,WALL-CLOCK TIME (HOURS),TYPE,TOTAL TIME (HOURS)
2C8,22500,8217,4.35218252,3.91471329,0,0.117347,RF,4
2C9BIG,142000,11730,5.15228834,4.06929801,0,7.48229,RF,224
2D6,37500,9729,4.57403127,3.9880682,0,0.520706,RF,19
3A4,37499,9491,4.57401969,3.97731197,1,0.334961,RF,15
A-II,2072,5242,3.31638975,3.71949702,0,0.00361111,RF,0.1
BACE,13101,6200,4.11730445,3.79239169,0,0.0660194,RF,2
CAV,37500,8959,4.57403127,3.95225954,0,0.235758,RF,17
CB1,8730,5877,3.94101424,3.76915569,1,0.0921167,RF,1.1
CLINT,17469,6782,4.24226804,3.83135779,0,0.0890167,RF,3.7
DPP4,6150,5203,3.78887512,3.71625383,1,0.0542194,RF,0.9
ERK2,9632,6596,3.98371647,3.81928065,0,0.0660694,RF,2.3
FACTORXIA,7149,6136,3.8542453,3.78788535,0,0.056925,RF,0.9
FASSIF,67100,9541,4.82672252,3.9795939,0,0.802364,RF,33.3
HERG,37473,9388,4.57371846,3.97257308,0,0.289517,RF,9.6
HERGBIG,238000,12508,5.37657696,4.09718787,0,5.99833,RF,494
HIV_INT,1815,4306,3.25887663,3.63407403,1,0.00985,RF,0.1
HIV_PROT,3233,6274,3.5096057,3.79754451,1,0.0233222,RF,0.4
HPLC_LOGD,37500,8921,4.57403127,3.95041354,1,0.26395,RF,16
METAB,1569,4595,3.19562294,3.66228552,1,0.007775,RF,0.2
NAV,34682,8302,4.54010413,3.91918273,0,0.327289,RF,10.1
NK1,10050,5803,4.00216606,3.76365257,1,0.0898028,RF,1.3
OX1,5351,4730,3.72843495,3.67486114,1,0.0127694,RF,0.5
OX2,11156,5790,4.04750851,3.76267856,1,0.0895861,RF,1.8
PAPP,23204,7713,4.36556286,3.88722333,0,0.157297,RF,5.2
PGP,6450,5135,3.80955971,3.71054045,1,0.0369528,RF,0.5
PPB,8716,5470,3.94031722,3.73798733,1,0.0586139,RF,0.8
PXR,37499,9282,4.57401969,3.96764156,0,0.335736,RF,19.8
RAT_F,6109,5698,3.78597013,3.75572244,1,0.0219306,RF,0.5
TDI,4169,5945,3.6200319,3.77415186,1,0.026775,RF,0.4
THROMBIN,5100,5552,3.70757018,3.74444946,1,0.0312472,RF,0.4
2C8,22500,8217,4.35218252,3.91471329,0,2,DNN (standard),20
2C9BIG,142000,11730,5.15228834,4.06929801,0,16.7,DNN (standard),167
2D6,37500,9729,4.57403127,3.9880682,0,3.75,DNN (standard),37.5
3A4,37499,9491,4.57401969,3.97731197,1,3.8,DNN (standard),38
A-II,2072,5242,3.31638975,3.71949702,0,0.15,DNN (standard),1.5
BACE,13101,6200,4.11730445,3.79239169,0,0.983,DNN (standard),9.83
CAV,37500,8959,4.57403127,3.95225954,0,3.6,DNN (standard),36
CB1,8730,5877,3.94101424,3.76915569,1,0.65,DNN (standard),6.5
CLINT,17469,6782,4.24226804,3.83135779,0,1.384,DNN (standard),13.84
DPP4,6150,5203,3.78887512,3.71625383,1,0.433,DNN (standard),4.33
ERK2,9632,6596,3.98371647,3.81928065,0,0.767,DNN (standard),7.67
FACTORXIA,7149,6136,3.8542453,3.78788535,0,0.533,DNN (standard),5.33
FASSIF,67100,9541,4.82672252,3.9795939,0,6.8,DNN (standard),68
HERG,37473,9388,4.57371846,3.97257308,0,3.667,DNN (standard),36.67
HERGBIG,238000,12508,5.37657696,4.09718787,0,29.25,DNN (standard),292.5
HIV_INT,1815,4306,3.25887663,3.63407403,1,0.117,DNN (standard),1.17
HIV_PROT,3233,6274,3.5096057,3.79754451,1,0.25,DNN (standard),2.5
HPLC_LOGD,37500,8921,4.57403127,3.95041354,1,3.6,DNN (standard),36
METAB,1569,4595,3.19562294,3.66228552,1,0.1,DNN (standard),1
NAV,34682,8302,4.54010413,3.91918273,0,3.183,DNN (standard),31.83
NK1,10050,5803,4.00216606,3.76365257,1,0.733,DNN (standard),7.33
OX1,5351,4730,3.72843495,3.67486114,1,0.35,DNN (standard),3.5
OX2,11156,5790,4.04750851,3.76267856,1,0.817,DNN (standard),8.17
PAPP,23204,7713,4.36556286,3.88722333,0,2,DNN (standard),20
PGP,6450,5135,3.80955971,3.71054045,1,0.417,DNN (standard),4.17
PPB,8716,5470,3.94031722,3.73798733,1,0.6,DNN (standard),6
PXR,37499,9282,4.57401969,3.96764156,0,4.1,DNN (standard),40.1
RAT_F,6109,5698,3.78597013,3.75572244,1,0.467,DNN (standard),4.67
TDI,4169,5945,3.6200319,3.77415186,1,0.316,DNN (standard),3.16
THROMBIN,5100,5552,3.70757018,3.74444946,1,0.366,DNN (standard),3.66
2C8,22500,8217,4.35218252,3.91471329,0,0.266,DNN (quick),2.66
2C9BIG,142000,11730,5.15228834,4.06929801,0,2.3,DNN (quick),23
2D6,37500,9729,4.57403127,3.9880682,0,0.5,DNN (quick),5
3A4,37499,9491,4.57401969,3.97731197,1,0.5,DNN (quick),5
A-II,2072,5242,3.31638975,3.71949702,0,0.017,DNN (quick),0.17
BACE,13101,6200,4.11730445,3.79239169,0,0.133,DNN (quick),1.33
CAV,37500,8959,4.57403127,3.95225954,0,0.467,DNN (quick),4.67
CB1,8730,5877,3.94101424,3.76915569,1,0.066,DNN (quick),0.66
CLINT,17469,6782,4.24226804,3.83135779,0,0.167,DNN (quick),1.67
DPP4,6150,5203,3.78887512,3.71625383,1,0.05,DNN (quick),0.5
ERK2,9632,6596,3.98371647,3.81928065,0,0.083,DNN (quick),0.83
FACTORXIA,7149,6136,3.8542453,3.78788535,0,0.067,DNN (quick),0.67
FASSIF,67100,9541,4.82672252,3.9795939,0,0.9,DNN (quick),9
HERG,37473,9388,4.57371846,3.97257308,0,0.483,DNN (quick),4.83
HERGBIG,238000,12508,5.37657696,4.09718787,0,4,DNN (quick),40
HIV_INT,1815,4306,3.25887663,3.63407403,1,0.016,DNN (quick),0.16
HIV_PROT,3233,6274,3.5096057,3.79754451,1,0.034,DNN (quick),0.34
HPLC_LOGD,37500,8921,4.57403127,3.95041354,1,0.483,DNN (quick),4.83
METAB,1569,4595,3.19562294,3.66228552,1,0,DNN (quick),0
NAV,34682,8302,4.54010413,3.91918273,0,0.383,DNN (quick),3.83
NK1,10050,5803,4.00216606,3.76365257,1,0.084,DNN (quick),0.84
OX1,5351,4730,3.72843495,3.67486114,1,0.05,DNN (quick),0.5
OX2,11156,5790,4.04750851,3.76267856,1,0.1,DNN (quick),1
PAPP,23204,7713,4.36556286,3.88722333,0,0.25,DNN (quick),2.5
PGP,6450,5135,3.80955971,3.71054045,1,0.05,DNN (quick),0.5
PPB,8716,5470,3.94031722,3.73798733,1,0.067,DNN (quick),0.67
PXR,37499,9282,4.57401969,3.96764156,0,0.483,DNN (quick),4.83
RAT_F,6109,5698,3.78597013,3.75572244,1,0.05,DNN (quick),0.5
TDI,4169,5945,3.6200319,3.77415186,1,0.034,DNN (quick),0.34
THROMBIN,5100,5552,3.70757018,3.74444946,1,0.05,DNN (quick),0.5
2C8,22500,8217,4.35218252,3.91471329,0,0.15,XGBoost,0.15
2C9BIG,142000,11730,5.15228834,4.06929801,0,1.2,XGBoost,1.2
2D6,37500,9729,4.57403127,3.9880682,0,0.28,XGBoost,0.28
3A4,37499,9491,4.57401969,3.97731197,1,0.266,XGBoost,0.266
A-II,2072,5242,3.31638975,3.71949702,0,0.017,XGBoost,0.017
BACE,13101,6200,4.11730445,3.79239169,0,0.05,XGBoost,0.05
CAV,37500,8959,4.57403127,3.95225954,0,0.25,XGBoost,0.25
CB1,8730,5877,3.94101424,3.76915569,1,0.05,XGBoost,0.05
CLINT,17469,6782,4.24226804,3.83135779,0,0.084,XGBoost,0.084
DPP4,6150,5203,3.78887512,3.71625383,1,0.034,XGBoost,0.034
ERK2,9632,6596,3.98371647,3.81928065,0,0.05,XGBoost,0.05
FACTORXIA,7149,6136,3.8542453,3.78788535,0,0.034,XGBoost,0.034
FASSIF,67100,9541,4.82672252,3.9795939,0,0.5,XGBoost,0.5
HERG,37473,9388,4.57371846,3.97257308,0,0.266,XGBoost,0.266
HERGBIG,238000,12508,5.37657696,4.09718787,0,2.05,XGBoost,2.05
HIV_INT,1815,4306,3.25887663,3.63407403,1,0.01,XGBoost,0.01
HIV_PROT,3233,6274,3.5096057,3.79754451,1,0.017,XGBoost,0.017
HPLC_LOGD,37500,8921,4.57403127,3.95041354,1,0.25,XGBoost,0.25
METAB,1569,4595,3.19562294,3.66228552,1,0.017,XGBoost,0.017
NAV,34682,8302,4.54010413,3.91918273,0,0.217,XGBoost,0.217
NK1,10050,5803,4.00216606,3.76365257,1,0.05,XGBoost,0.05
OX1,5351,4730,3.72843495,3.67486114,1,0.033,XGBoost,0.033
OX2,11156,5790,4.04750851,3.76267856,1,0.05,XGBoost,0.05
PAPP,23204,7713,4.36556286,3.88722333,0,0.133,XGBoost,0.133
PGP,6450,5135,3.80955971,3.71054045,1,0.033,XGBoost,0.033
PPB,8716,5470,3.94031722,3.73798733,1,0.033,XGBoost,0.033
PXR,37499,9282,4.57401969,3.96764156,0,0.25,XGBoost,0.25
RAT_F,6109,5698,3.78597013,3.75572244,1,0.033,XGBoost,0.033
TDI,4169,5945,3.6200319,3.77415186,1,0.017,XGBoost,0.017
THROMBIN,5100,5552,3.70757018,3.74444946,1,0.033,XGBoost,0.033