Combined Application of Cheminformatics- and Physical Force Field-Based Scoring Functions Improves Binding Affinity Prediction for CSAR Data Sets

Jui-Hua Hsieh, Shuangye Yin, Shubin Liu, Alexander Sedykh, Nikolay V. Dokholyan, Alexander Tropsha. Combined Application of Cheminformatics- and Physical Force Field-Based Scoring Functions Improves Binding Affinity Prediction for CSAR Data Sets. Journal of Chemical Information and Computer Sciences, 51(9):2027-2035, 2011. [doi]

@article{HsiehYLSDT11,
  title = {Combined Application of Cheminformatics- and Physical Force Field-Based Scoring Functions Improves Binding Affinity Prediction for CSAR Data Sets},
  author = {Jui-Hua Hsieh and Shuangye Yin and Shubin Liu and Alexander Sedykh and Nikolay V. Dokholyan and Alexander Tropsha},
  year = {2011},
  doi = {10.1021/ci200146e},
  url = {http://dx.doi.org/10.1021/ci200146e},
  researchr = {https://researchr.org/publication/HsiehYLSDT11},
  cites = {0},
  citedby = {0},
  journal = {Journal of Chemical Information and Computer Sciences},
  volume = {51},
  number = {9},
  pages = {2027-2035},
}