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Large scale comparison of QSAR and conformal prediction methods and their applications in drug discovery.

Nicolas BoscFrancis AtkinsonEloy FelixAnna GaultonAnne HerseyAndrew R. Leach
Published in: J. Cheminformatics (2019)
Keyphrases
  • drug discovery
  • early stage
  • learning algorithm
  • machine learning methods
  • data mining
  • feature selection
  • decision trees
  • database systems
  • pairwise
  • linear regression