TDC ADMET
Benchmarks
| Task Name | Dataset Name | SOTA Result | Trend | |
|---|---|---|---|---|
| Molecular Property Prediction | TDC ADMET (test) | Avg Rank (Abs)1.33 | 11 | |
| ADMET Prediction | TDC ADMET (test) | Aggregate Normalised Improvement0.013 | 4 | |
| ADMET Prediction | TDC ADMET (val) | Aggregate Normalised Improvement5.4 | 4 | |
| Enzyme Inhibition Prediction | TDC-ADMET CYP2D6 Inhibition (test) | AUPRC79 | 3 | |
| Enzyme Inhibition Prediction | TDC-ADMET CYP3A4 Inhibition (held-out) | AUPRC91.6 | 3 | |
| Enzyme Inhibition Prediction | TDC-ADMET CYP2C9 Inhibition (held-out) | AUPRC86.1 | 3 | |
| Acute Toxicity Prediction | TDC-ADMET LD50 (held-out) | MAE0.502 | 3 |
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