遇见数据集

Percentage of molecules classified as metabolites or non-metabolites for three independent sets.

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Figshare2015-12-02 更新2026-04-29 收录
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95.84% of independent metabolites are correctly classified. More than half of the drugs in DrugBank are considered metabolites. Only 22.39% of the screening compounds in ChEMBL are predicted as metabolites. (A molecule is considered metabolite if its metabolite-likeness >50%.).

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2015-12-02
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