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SotA/Medical/Drug Discovery/tdcommons

Drug Discovery on tdcommons

Metric: TDC.hERG (higher is better)

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#Model↕TDC.hERG▼Extra DataPaperDate↕Code
1MLP-RDKit2D0.841NoTherapeutics Data Commons: Machine Learning Data...2021-02-18Code
2AttentiveFP0.825NoTherapeutics Data Commons: Machine Learning Data...2021-02-18Code
3XGBoost0.806NoAccurate ADMET Prediction with XGBoost2022-04-15Code
4AttrMasking0.778NoTherapeutics Data Commons: Machine Learning Data...2021-02-18Code
5GCN0.738NoTherapeutics Data Commons: Machine Learning Data...2021-02-18Code