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The results of the common feature pharmacophore model generation and validation.

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Figshare2015-12-02 更新2026-04-29 收录
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The calculation of hit rates using test set compounds was used for validation.All the Hypos have Direct hit = 1111111, Partial hit = 0000000, and Max. Fit = 4. Direct or Partial hit means direct or partial match of compound to the pharmocophoric features in each hypothesis. 1, match and 0, no match.a Pharmacophore features: H, hydrophobic; D, hydrogen bond donor; A, hydrogen bond acceptor.b The number of compounds which charges ten-percent of the total number of screened compounds.c Activity scale: Active (IC50 50 50).

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2015-12-02
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