TDC
Benchmarks
Task NameDataset NameSOTA ResultTrendResults
TDC HIA Hou
100AUROC
15
TDC CYP Substrate
65.7CYP2C9 Accuracy
13
TDC CYP Inhibition
77.4Accuracy (CYP1A2)
13
TDC 122 synthesis-guaranteed FDA-approved drugs
49.3AMES
9
TDC subset of 175K molecules
3.03Increased LogP
8
TDC BBB Martins
93AUROC
7
TDC Clearance Microsome AZ
0.63Spearman Correlation
7
TDC (Therapeutic Data Commons)
82.3AMES ROC AUC
6
TDC PPBR
7.376MAE
2
TDC CIFAR-10 (test)
50Accuracy
2