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SotA/Medical/Drug Discovery/tdcommons

Drug Discovery on tdcommons

Metric: TDC.CYP2C9_Inhibition_Veith (higher is better)

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#Model↕TDC.CYP2C9_Inhibition_Veith▼Extra DataPaperDate↕Code
1XGBoost0.877NoAccurate ADMET Prediction with XGBoost2022-04-15Code
2AttrMasking0.829NoTherapeutics Data Commons: Machine Learning Data...2021-02-18Code
3AttentiveFP0.749NoTherapeutics Data Commons: Machine Learning Data...2021-02-18Code
4MLP-RDKit2D0.742NoTherapeutics Data Commons: Machine Learning Data...2021-02-18Code
5GCN0.735NoTherapeutics Data Commons: Machine Learning Data...2021-02-18Code