DrugOOD
Benchmarks
TaskDatasetSOTA resultTrendResults
DrugOOD EC50 (OOD test)
80.13ROC AUC
52
DrugOOD-IC50 (assay)
72.96Average Accuracy
40
DrugOOD Ki-Sca (Scaffold-based OOD shift)
88.58ROC-AUC
36
DrugOOD EC50 (Scaffold-based OOD shift)
82.66ROC AUC
36
DrugOOD IC50 (test)
73.26ROC AUC
24
DrugOOD Ki-Size (Size-based OOD shift)
92.5ROC-AUC
15
DrugOOD Ki-Assay (Assay-based OOD shift)
91.08ROC-AUC
15
DrugOOD EC50 (Size-based OOD shift)
84.53ROC AUC
15
DrugOOD EC50 Assay-based OOD shift Realistic
84.77ROC-AUC
15
DrugOOD core ec50 (test)
84.51AUPRC (R<0.2)
14
DrugOOD core ec50 (val)
98.66AUPRC (R<0.2)
14
DrugOOD core ic50 (test)
94.52AUPRC (R<0.2)
14
DrugOOD core ic50 (val)
99.15AUPRC (R<0.2)
14
DrugOOD refined ec50 (test)
89.76AUPRC @ R<0.2
14
DrugOOD refined ec50 (val)
98.45AUPRC (R<0.2)
14
DrugOOD assay
71.75ROC-AUC
14
DrugOOD Ki-Size
81.5ROC-AUC
13
DrugOOD Ki-Assay
77.1ROC-AUC
13
DrugOOD EC-Size
66.2ROC-AUC
13
DrugOOD EC-Assay
0.799ROC-AUC
13
DrugOOD IC50 OOD (test)
69.16ROC-AUC
12
DrugOOD EC50 measurement 13 (Size)
0.671ROC AUC
12
DrugOOD EC50 measurement 13 (Scaffold)
67.79ROC AUC
12
DrugOOD EC50 measurement 13 (Assay)
0.775ROC AUC
12
DrugOOD IC50 measurement 13 (Size)
0.679ROC AUC
12