Design, synthesis and experimental validation of novel potential chemopreventive agents using random forest and support vector machine binary classifiers

Brienne Sprague, Qian Shi, Marlene T. Kim, Liying Zhang, Alexander Sedykh, Eiichiro Ichiishi, Harukuni Tokuda, Kuo-Hsiung Lee, Hao Zhu. Design, synthesis and experimental validation of novel potential chemopreventive agents using random forest and support vector machine binary classifiers. Journal of Computer-Aided Molecular Design, 28(6):631-646, 2014. [doi]

@article{SpragueSKZSITLZ14,
  title = {Design, synthesis and experimental validation of novel potential chemopreventive agents using random forest and support vector machine binary classifiers},
  author = {Brienne Sprague and Qian Shi and Marlene T. Kim and Liying Zhang and Alexander Sedykh and Eiichiro Ichiishi and Harukuni Tokuda and Kuo-Hsiung Lee and Hao Zhu},
  year = {2014},
  doi = {10.1007/s10822-014-9748-9},
  url = {http://dx.doi.org/10.1007/s10822-014-9748-9},
  researchr = {https://researchr.org/publication/SpragueSKZSITLZ14},
  cites = {0},
  citedby = {0},
  journal = {Journal of Computer-Aided Molecular Design},
  volume = {28},
  number = {6},
  pages = {631-646},
}