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Enhancing the Effectiveness of Virtual Screening by Fusing Nearest Neighbor Lists: A Comparison of Similarity Coefficients.

Martin WhittleValerie J. GilletPeter WillettAlexander AlexJens Loesel
Published in: J. Chem. Inf. Model. (2004)
Keyphrases
  • nearest neighbor
  • distance function
  • virtual screening
  • knn
  • similarity measure
  • distance measure
  • drug discovery
  • data sets
  • neural network
  • training set
  • document retrieval