hERG
Benchmarks
| Task Name | Dataset Name | SOTA Result | Trend | |
|---|---|---|---|---|
| Molecular Property Prediction | hERG ChEMBL | AUPRC (R<0.2)94.67 | 14 | |
| Covariate Shift Calibration | hERG | MAD0.009 | 12 | |
| Molecular Property Prediction | hERG 648 drugs | AUC87.6 | 12 | |
| Virtual screening | hERG (Leave-one-out cluster) | AUPRC@R<0.293.98 | 6 | |
| Toxicity Property Prediction | hERG | ROC-AUC75.4 | 5 |
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