Multi-Instance Learning Approach to the Modeling of Enantioselectivity of Conformationally Flexible Organic Catalysts

Dmitry V. Zankov, Timur I. Madzhidov, Pavel G. Polishchuk, Pavel Sidorov, Alexandre Varnek. Multi-Instance Learning Approach to the Modeling of Enantioselectivity of Conformationally Flexible Organic Catalysts. Journal of Chemical Information and Computer Sciences, 63(21):6629-6641, November 2023. [doi]

@article{ZankovMPSV23,
  title = {Multi-Instance Learning Approach to the Modeling of Enantioselectivity of Conformationally Flexible Organic Catalysts},
  author = {Dmitry V. Zankov and Timur I. Madzhidov and Pavel G. Polishchuk and Pavel Sidorov and Alexandre Varnek},
  year = {2023},
  month = {November},
  doi = {10.1021/acs.jcim.3c00393},
  url = {https://doi.org/10.1021/acs.jcim.3c00393},
  researchr = {https://researchr.org/publication/ZankovMPSV23},
  cites = {0},
  citedby = {0},
  journal = {Journal of Chemical Information and Computer Sciences},
  volume = {63},
  number = {21},
  pages = {6629-6641},
}