HIV
Benchmarks
TaskDatasetSOTA resultTrendResults
HIV
0.832ROC-AUC
160
HIV (scaffold split)
79.9ROC-AUC
56
HIV
62.18Accuracy
52
HIV
79.88ROC AUC
51
HIV (test)
79.42ROC AUC
46
HIV
85.6ROC-AUC
42
HIV 50-shot (test)
68.19ROC-AUC
40
HIV MoleculeNet (test)
84.81AUROC
40
HIV dataset
6.063Estimated Expected Outcome
36
HIV OGB (test)
80.67ROC AUC
33
HIV MoleculeNet (test)
35.47AUPRC
27
HIV GraphOOD (test)
73.31ROC-AUC
26
HIV full-shot (test)
79.42ROC-AUC
25
HIV (scaffold)
0.789ROC AUC
25
HIV
100AUC
20
HIV random 6:2:2 (test)
0.783ROC-AUC
17
HIV
0.533MCC
16
HIV 100-shot (test)
0.698ROC AUC
15
HIV MoleculeNet
77.88ROC-AUC
14
HIV Molecule OGB (standard)
0.778ROC AUC
14
HIV-Hi Lo-Hi benchmark
15.8AUPRC
13
HIV
80.8ROC-AUC
13
HIV
95F1 Score
12
HIV MoleculeNet scaffold-split (test)
80.8AUROC (%)
12
HIV
0.013Mean Absolute Deviation (MAD)
12