DILI
Benchmarks
| Task Name | Dataset Name | SOTA Result | Trend | |
|---|---|---|---|---|
| Molecular property prediction | DILI 475 drugs | AUC95.08 | 12 | |
| Property-Specific Molecule Generation | DILI | Synthetic Accessibility (SA)2.38 | 9 | |
| Molecular optimization | DILI TDC (test) | Improvement (%)18.451 | 8 | |
| Molecular Property Classification | DILI | Delta ID-Churn1.1 | 5 | |
| Distributional disagreement (sym-KL) | DILI (id-test) | Delta Symmetric KL Divergence (delta sym-KL)-0.07 | 5 | |
| DILI classification | DILI | Accuracy0.847 | 4 | |
| Top-K ranking stability | DILI id (test) | Jaccard Similarity0.69 | 3 |
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