An in Silico Method for Predicting Ames Activities of Primary Aromatic Amines by Calculating the Stabilities of Nitrenium Ions

Jörg Bentzien, Eugene R. Hickey, Raymond A. Kemper, Mark L. Brewer, Jane D. Dyekjær, Stephen P. East, Mark Whittaker. An in Silico Method for Predicting Ames Activities of Primary Aromatic Amines by Calculating the Stabilities of Nitrenium Ions. Journal of Chemical Information and Computer Sciences, 50(2):274-297, 2010. [doi]

@article{BentzienHKBDEW10,
  title = {An in Silico Method for Predicting Ames Activities of Primary Aromatic Amines by Calculating the Stabilities of Nitrenium Ions},
  author = {Jörg Bentzien and Eugene R. Hickey and Raymond A. Kemper and Mark L. Brewer and Jane D. Dyekjær and Stephen P. East and Mark Whittaker},
  year = {2010},
  doi = {10.1021/ci900378x},
  url = {http://dx.doi.org/10.1021/ci900378x},
  researchr = {https://researchr.org/publication/BentzienHKBDEW10},
  cites = {0},
  citedby = {0},
  journal = {Journal of Chemical Information and Computer Sciences},
  volume = {50},
  number = {2},
  pages = {274-297},
}