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SotA/Medical/Drug Discovery/tdcommons

Drug Discovery on tdcommons

Metric: TDC.LD50_Zhu (higher is better)

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#Model↕TDC.LD50_Zhu▼Extra DataPaperDate↕Code
1AttrMasking0.685NoTherapeutics Data Commons: Machine Learning Data...2021-02-18Code
2MLP-RDKit2D0.678NoTherapeutics Data Commons: Machine Learning Data...2021-02-18Code
3AttentiveFP0.678NoTherapeutics Data Commons: Machine Learning Data...2021-02-18Code
4GCN0.649NoTherapeutics Data Commons: Machine Learning Data...2021-02-18Code
5XGBoost0.602NoAccurate ADMET Prediction with XGBoost2022-04-15Code