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Comparison of Fingerprint-Based Methods for Virtual Screening Using Multiple Bioactive Reference Structures.

Jérôme HertPeter WillettDavid J. WiltonPierre AcklinKamal AzzaouiEdgar JacobyAnsgar Schuffenhauer
Published in: J. Chem. Inf. Model. (2004)
Keyphrases
  • graphical models
  • preprocessing
  • data mining methods
  • feature extraction
  • data sets
  • access methods
  • virtual screening
  • chemical structures