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Characterization of Small Molecule Binding. I. Accurate Identification of Strong Inhibitors in Virtual Screening.

Bo DingJian WangNan LiWei Wang
Published in: J. Chem. Inf. Model. (2013)
Keyphrases
  • drug discovery
  • virtual screening
  • chemical structures
  • database
  • data analysis
  • data points
  • nearest neighbor
  • data management
  • high precision
  • high throughput
  • scientific data
  • systems biology
  • similarity searching