Tapping on the Black Box: How Is the Scoring Power of a Machine-Learning Scoring Function Dependent on the Training Set?

Minyi Su, Guoqin Feng, Zhihai Liu, Yan Li 0051, Renxiao Wang. Tapping on the Black Box: How Is the Scoring Power of a Machine-Learning Scoring Function Dependent on the Training Set?. Journal of Chemical Information and Computer Sciences, 60(3):1122-1136, 2020. [doi]

@article{SuFLLW20,
  title = {Tapping on the Black Box: How Is the Scoring Power of a Machine-Learning Scoring Function Dependent on the Training Set?},
  author = {Minyi Su and Guoqin Feng and Zhihai Liu and Yan Li 0051 and Renxiao Wang},
  year = {2020},
  doi = {10.1021/acs.jcim.9b00714},
  url = {https://doi.org/10.1021/acs.jcim.9b00714},
  researchr = {https://researchr.org/publication/SuFLLW20},
  cites = {0},
  citedby = {0},
  journal = {Journal of Chemical Information and Computer Sciences},
  volume = {60},
  number = {3},
  pages = {1122-1136},
}