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Does Rational Selection of Training and Test Sets Improve the Outcome of QSAR Modeling?

Todd MartinPaul HartenDouglas M. YoungEugene N. MuratovAlexander GolbraikhHao ZhuAlexander Tropsha
Published in: J. Chem. Inf. Model. (2012)
Keyphrases
  • reinforcement learning
  • training and test sets
  • data mining
  • test set