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Molecular Similarity Analysis and Virtual Screening by Mapping of Consensus Positions in Binary-Transformed Chemical Descriptor Spaces with Variable Dimensionality.

Jeffrey W. GoddenJohn R. FurrLing XueFlorence L. StahuraJürgen Bajorath
Published in: J. Chem. Inf. Model. (2004)
Keyphrases
  • virtual screening
  • drug discovery
  • chemical structures
  • high dimensional
  • similarity searching
  • data mining
  • feature extraction
  • feature space
  • end users
  • high throughput
  • early stage
  • metric space
  • binding sites