MoleculeNet Tox21
Benchmarks
| Task Name | Dataset Name | SOTA Result | Trend | |
|---|---|---|---|---|
| Molecular Property Prediction | MoleculeNet Tox21 (scaffold) | ROC-AUC85.4 | 48 | |
| Classification | MoleculeNet Tox21 (test) | ROC AUC83.9 | 20 | |
| Proposer Evaluation | MoleculeNet Tox21 3.5% prevalence (random) | DQS0.046 | 11 | |
| Molecular property prediction | MoleculeNet Tox21 80/10/10 random split (test) | ROC-AUC87.36 | 4 |
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