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Recognizing Pitfalls in Virtual Screening: A Critical Review.

Thomas SciorAndreas BenderGary TresadernJosé L. Medina-FrancoKarina Martínez-MayorgaThierry LangerKarina Cuanalo-ContrerasDimitris K. Agrafiotis
Published in: J. Chem. Inf. Model. (2012)
Keyphrases
  • virtual screening
  • chemical structures
  • drug discovery
  • similarity searching
  • knn
  • similarity search
  • high throughput
  • binding sites
  • multi dimensional
  • chemical compounds