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Novel Methods for the Prediction of logP, pKa, and logD.

Li XingRobert C. Glen
Published in: J. Chem. Inf. Comput. Sci. (2002)
Keyphrases
  • neural network
  • significant improvement
  • machine learning
  • feature selection
  • artificial neural networks
  • benchmark datasets
  • machine learning methods
  • computationally expensive
  • search methods
  • methods require