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SotA/Medical/Drug Discovery/tdcommons

Drug Discovery on tdcommons

Metric: TDC.Solubility_AqSolDB (higher is better)

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#Model↕TDC.Solubility_AqSolDB▼Extra DataPaperDate↕Code
1AttrMasking1.026NoTherapeutics Data Commons: Machine Learning Data...2021-02-18Code
2GCN0.907NoTherapeutics Data Commons: Machine Learning Data...2021-02-18Code
3MLP-RDKit2D0.827NoTherapeutics Data Commons: Machine Learning Data...2021-02-18Code
4AttentiveFP0.776NoTherapeutics Data Commons: Machine Learning Data...2021-02-18Code
5XGBoost0.727NoAccurate ADMET Prediction with XGBoost2022-04-15Code