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SotA/Medical/Drug Discovery/tdcommons

Drug Discovery on tdcommons

Metric: TDC.Lipophilicity_AstraZeneca (higher is better)

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#Model↕TDC.Lipophilicity_AstraZeneca▼Extra DataPaperDate↕Code
1MLP-RDKit2D0.574NoTherapeutics Data Commons: Machine Learning Data...2021-02-18Code
2AttentiveFP0.572NoTherapeutics Data Commons: Machine Learning Data...2021-02-18Code
3AttrMasking0.547NoTherapeutics Data Commons: Machine Learning Data...2021-02-18Code
4GCN0.541NoTherapeutics Data Commons: Machine Learning Data...2021-02-18Code
5XGBoost0.533NoAccurate ADMET Prediction with XGBoost2022-04-15Code