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NN QSAR modeling and application of the QSAR classifier to virtual screening.

Jui-Hua HsiehXiang S. WangDenise G. TeoticoAlexander GolbraikhAlexander Tropsha
Published in: J. Comput. Aided Mol. Des. (2008)
Keyphrases
  • drug discovery
  • virtual screening
  • neural network
  • databases
  • training data
  • database
  • data structure
  • feature space
  • feature selection
  • decision trees
  • training set