RS-Predictor Models Augmented with SMARTCyp Reactivities: Robust Metabolic Regioselectivity Predictions for Nine CYP Isozymes

Jed Zaretzki, Patrik Rydberg, Charles Bergeron, Kristin P. Bennett, Lars Olsen, Curt M. Breneman. RS-Predictor Models Augmented with SMARTCyp Reactivities: Robust Metabolic Regioselectivity Predictions for Nine CYP Isozymes. Journal of Chemical Information and Computer Sciences, 52(6):1637-1659, 2012. [doi]

@article{ZaretzkiRBBOB12,
  title = {RS-Predictor Models Augmented with SMARTCyp Reactivities: Robust Metabolic Regioselectivity Predictions for Nine CYP Isozymes},
  author = {Jed Zaretzki and Patrik Rydberg and Charles Bergeron and Kristin P. Bennett and Lars Olsen and Curt M. Breneman},
  year = {2012},
  doi = {10.1021/ci300009z},
  url = {http://dx.doi.org/10.1021/ci300009z},
  researchr = {https://researchr.org/publication/ZaretzkiRBBOB12},
  cites = {0},
  citedby = {0},
  journal = {Journal of Chemical Information and Computer Sciences},
  volume = {52},
  number = {6},
  pages = {1637-1659},
}