Metric: TDC.Solubility_AqSolDB (higher is better)
| # | Model↕ | TDC.Solubility_AqSolDB▼ | Extra Data | Paper | Date↕ | Code |
|---|---|---|---|---|---|---|
| 1 | AttrMasking | 1.026 | No | Therapeutics Data Commons: Machine Learning Data... | 2021-02-18 | Code |
| 2 | GCN | 0.907 | No | Therapeutics Data Commons: Machine Learning Data... | 2021-02-18 | Code |
| 3 | MLP-RDKit2D | 0.827 | No | Therapeutics Data Commons: Machine Learning Data... | 2021-02-18 | Code |
| 4 | AttentiveFP | 0.776 | No | Therapeutics Data Commons: Machine Learning Data... | 2021-02-18 | Code |
| 5 | XGBoost | 0.727 | No | Accurate ADMET Prediction with XGBoost | 2022-04-15 | Code |