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Defining a novel k-nearest neighbours approach to assess the applicability domain of a QSAR model for reliable predictions.

Faizan SahigaraDavide BallabioRoberto TodeschiniViviana Consonni
Published in: J. Cheminformatics (2013)
Keyphrases
  • objective function
  • feature selection
  • similarity measure
  • fuzzy logic
  • linear combination