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Data Results for Molecular Docking (Binding Affinities and Interactions) and ADMETox Evaluation

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NIAID Data Ecosystem2026-05-02 收录
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https://data.mendeley.com/datasets/fnjm6pbxyt
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资源简介:
The following files include the raw data for the molecular docking results, which contain the binding affinities used in the calculation of the inhibition constant as well as the binding interactions of each compound, ADMETox evaluation, and the smiles codes for each compound.
创建时间:
2025-07-21
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