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Suitability of GRIND-Based Principal Properties for the Description of Molecular Similarity and Ligand-Based Virtual Screening.

Ángel DuránIsmael ZamoraManuel Pastor
Published in: J. Chem. Inf. Model. (2009)
Keyphrases
  • virtual screening
  • drug discovery
  • similarity searching
  • chemical structures
  • high throughput
  • binding sites
  • similarity queries
  • similarity search
  • scoring function
  • similarity measure