MoleculeNet Tox21
Benchmarks
TaskDatasetSOTA resultTrendResults
MoleculeNet Tox21 (scaffold)
85.4ROC-AUC
48
MoleculeNet Tox21 (test)
83.9ROC AUC
20
MoleculeNet Tox21 (test)
80.1ROC-AUC
16
MoleculeNet Tox21 3.5% prevalence (random)
0.046DQS
11
MoleculeNet Tox21 80/10/10 random split (test)
87.36ROC-AUC
4