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Ligand-Target Interaction-Based Weighting of Substructures for Virtual Screening.

Thomas J. CrismanMihiret Tekeste SisayJürgen Bajorath
Published in: J. Chem. Inf. Model. (2008)
Keyphrases
  • virtual screening
  • drug discovery
  • chemical structures
  • similarity searching
  • binding sites
  • high throughput
  • scoring function
  • similarity search
  • data structure
  • database
  • multi dimensional
  • graph mining
  • graph databases