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SotA/Medical/Drug Discovery/tdcommons

Drug Discovery on tdcommons

Metric: TDC.CYP3A4_Substrate_CarbonMangels (higher is better)

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#Model↕TDC.CYP3A4_Substrate_CarbonMangels▼Extra DataPaperDate↕Code
1XGBoost0.648NoAccurate ADMET Prediction with XGBoost2022-04-15Code
2MLP-RDKit2D0.639NoTherapeutics Data Commons: Machine Learning Data...2021-02-18Code
3GCN0.59NoTherapeutics Data Commons: Machine Learning Data...2021-02-18Code
4AttrMasking0.582NoTherapeutics Data Commons: Machine Learning Data...2021-02-18Code
5AttentiveFP0.576NoTherapeutics Data Commons: Machine Learning Data...2021-02-18Code