Metric: TDC.Caco2_Wang (higher is better)
| # | Model↕ | TDC.Caco2_Wang▼ | Extra Data | Paper | Date↕ | Code |
|---|---|---|---|---|---|---|
| 1 | GCN | 0.599 | No | Therapeutics Data Commons: Machine Learning Data... | 2021-02-18 | Code |
| 2 | AttrMasking | 0.546 | No | Therapeutics Data Commons: Machine Learning Data... | 2021-02-18 | Code |
| 3 | AttentiveFP | 0.401 | No | Therapeutics Data Commons: Machine Learning Data... | 2021-02-18 | Code |
| 4 | MLP-RDKit2D | 0.393 | No | Therapeutics Data Commons: Machine Learning Data... | 2021-02-18 | Code |
| 5 | DeepMol | 0.297 | No | - | - | Code |
| 6 | XGBoost | 0.288 | No | Accurate ADMET Prediction with XGBoost | 2022-04-15 | Code |
| 7 | MapLight | 0.276 | No | ADMET property prediction through combinations o... | 2023-09-29 | Code |