Metric: TDC.DILI (higher is better)
| # | Model↕ | TDC.DILI▼ | Extra Data | Paper | Date↕ | Code |
|---|---|---|---|---|---|---|
| 1 | XGBoost | 0.933 | No | Accurate ADMET Prediction with XGBoost | 2022-04-15 | Code |
| 2 | AttrMasking | 0.919 | No | Therapeutics Data Commons: Machine Learning Data... | 2021-02-18 | Code |
| 3 | AttentiveFP | 0.886 | No | Therapeutics Data Commons: Machine Learning Data... | 2021-02-18 | Code |
| 4 | MLP-RDKit2D | 0.875 | No | Therapeutics Data Commons: Machine Learning Data... | 2021-02-18 | Code |
| 5 | GCN | 0.859 | No | Therapeutics Data Commons: Machine Learning Data... | 2021-02-18 | Code |