The results of the common feature pharmacophore model generation and validation.
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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 <10 nM); Moderately active (10< IC50 <100 nM); Inactive (100 nM < IC50).
创建时间：
2013-12-30
