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Benchmark of four popular virtual screening programs: construction of the active/decoy dataset remains a major determinant of measured performance.

Ludovic ChaputJuan Martinez-SanzNicolas SaettelLiliane Mouawad
Published in: J. Cheminformatics (2016)
Keyphrases
  • virtual screening
  • chemical structures
  • drug discovery
  • similarity searching
  • database
  • scoring function
  • data sets
  • real world
  • high dimensional