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DrugLogit: Logistic Discrimination between Drugs and Nondrugs Including Disease-Specificity by Assigning Probabilities Based on Molecular Properties.

Alfonso T. García-SosaMare OjaCsaba HetényiUko Maran
Published in: J. Chem. Inf. Model. (2012)
Keyphrases
  • drug discovery
  • logistic regression
  • virtual screening
  • desirable properties
  • data sets
  • information systems
  • feature selection
  • three dimensional