遇见数据集

Binding affinity results from AutoDock Vina.

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Figshare2026-02-02 更新2026-04-28 收录
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The binding affinity scores of 13,314 MNPs were obtained by performing molecular docking using AutoDock Vina. The compounds were ranked based on their binding scores, and only 1,329 ligands that had binding scores ranging from −10 to −13.7 were selected for ADMET prediction. (XLSX)

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2026-02-02
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