A molecule perturbation software library and its application to study the effects of molecular design constraints

Alan Kerstjens, Hans De Winter. A molecule perturbation software library and its application to study the effects of molecular design constraints. J. Cheminformatics, 15(1):89, December 2023. [doi]

@article{KerstjensW23,
  title = {A molecule perturbation software library and its application to study the effects of molecular design constraints},
  author = {Alan Kerstjens and Hans De Winter},
  year = {2023},
  month = {December},
  doi = {10.1186/s13321-023-00761-5},
  url = {https://doi.org/10.1186/s13321-023-00761-5},
  researchr = {https://researchr.org/publication/KerstjensW23},
  cites = {0},
  citedby = {0},
  journal = {J. Cheminformatics},
  volume = {15},
  number = {1},
  pages = {89},
}