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

Todd Martin, Paul Harten, Douglas M. Young, Eugene N. Muratov, Alexander Golbraikh, Hao Zhu, Alexander Tropsha. Does Rational Selection of Training and Test Sets Improve the Outcome of QSAR Modeling?. Journal of Chemical Information and Computer Sciences, 52(10):2570-2578, 2012. [doi]

@article{MartinHYMGZT12,
  title = {Does Rational Selection of Training and Test Sets Improve the Outcome of QSAR Modeling?},
  author = {Todd Martin and Paul Harten and Douglas M. Young and Eugene N. Muratov and Alexander Golbraikh and Hao Zhu and Alexander Tropsha},
  year = {2012},
  doi = {10.1021/ci300338w},
  url = {http://dx.doi.org/10.1021/ci300338w},
  researchr = {https://researchr.org/publication/MartinHYMGZT12},
  cites = {0},
  citedby = {0},
  journal = {Journal of Chemical Information and Computer Sciences},
  volume = {52},
  number = {10},
  pages = {2570-2578},
}