Metric: TDC.CYP3A4_Inhibition_Veith (higher is better)
| # | Model↕ | TDC.CYP3A4_Inhibition_Veith▼ | Extra Data | Paper | Date↕ | Code |
|---|---|---|---|---|---|---|
| 1 | AttrMasking | 0.902 | No | Therapeutics Data Commons: Machine Learning Data... | 2021-02-18 | Code |
| 2 | AttentiveFP | 0.851 | No | Therapeutics Data Commons: Machine Learning Data... | 2021-02-18 | Code |
| 3 | GCN | 0.84 | No | Therapeutics Data Commons: Machine Learning Data... | 2021-02-18 | Code |
| 4 | MLP-RDKit2D | 0.829 | No | Therapeutics Data Commons: Machine Learning Data... | 2021-02-18 | Code |
| 5 | XGBoost | 0.721 | No | Accurate ADMET Prediction with XGBoost | 2022-04-15 | Code |