Comparison of Scaling Methods to Obtain Calibrated Probabilities of Activity for Protein-Ligand Predictions

Lewis H. Mervin, Avid M. Afzal, Ola Engkvist, Andreas Bender. Comparison of Scaling Methods to Obtain Calibrated Probabilities of Activity for Protein-Ligand Predictions. Journal of Chemical Information and Computer Sciences, 60(10):4546-4559, 2020. [doi]

@article{MervinAEB20,
  title = {Comparison of Scaling Methods to Obtain Calibrated Probabilities of Activity for Protein-Ligand Predictions},
  author = {Lewis H. Mervin and Avid M. Afzal and Ola Engkvist and Andreas Bender},
  year = {2020},
  doi = {10.1021/acs.jcim.0c00476},
  url = {https://doi.org/10.1021/acs.jcim.0c00476},
  researchr = {https://researchr.org/publication/MervinAEB20},
  cites = {0},
  citedby = {0},
  journal = {Journal of Chemical Information and Computer Sciences},
  volume = {60},
  number = {10},
  pages = {4546-4559},
}