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Improving Classical Substructure-Based Virtual Screening to Handle Extrapolation Challenges.

Tammy BiniashviliEhud SchreiberYossef Kliger
Published in: J. Chem. Inf. Model. (2012)
Keyphrases
  • virtual screening
  • drug discovery
  • chemical structures
  • similarity searching
  • real world
  • metadata
  • metric space
  • scoring function