DR-Predictor: Incorporating Flexible Docking with Specialized Electronic Reactivity and Machine Learning Techniques to Predict CYP-Mediated Sites of Metabolism

Tao-Wei Huang, Jed Zaretzki, Charles Bergeron, Kristin P. Bennett, Curt M. Breneman. DR-Predictor: Incorporating Flexible Docking with Specialized Electronic Reactivity and Machine Learning Techniques to Predict CYP-Mediated Sites of Metabolism. Journal of Chemical Information and Computer Sciences, 53(12):3352-3366, 2013. [doi]

@article{HuangZBBB13,
  title = {DR-Predictor: Incorporating Flexible Docking with Specialized Electronic Reactivity and Machine Learning Techniques to Predict CYP-Mediated Sites of Metabolism},
  author = {Tao-Wei Huang and Jed Zaretzki and Charles Bergeron and Kristin P. Bennett and Curt M. Breneman},
  year = {2013},
  doi = {10.1021/ci4004688},
  url = {http://dx.doi.org/10.1021/ci4004688},
  researchr = {https://researchr.org/publication/HuangZBBB13},
  cites = {0},
  citedby = {0},
  journal = {Journal of Chemical Information and Computer Sciences},
  volume = {53},
  number = {12},
  pages = {3352-3366},
}