Spectrophores as one-dimensional descriptors calculated from three-dimensional atomic properties: applications ranging from scaffold hopping to multi-target virtual screening

Rafaela Gladysz, Fábio Mendes dos Santos, Wilfried Langenaeker, Gert Thijs, Koen Augustyns, Hans De Winter. Spectrophores as one-dimensional descriptors calculated from three-dimensional atomic properties: applications ranging from scaffold hopping to multi-target virtual screening. J. Cheminformatics, 10(1), 2018. [doi]

@article{GladyszSLTAW18,
  title = {Spectrophores as one-dimensional descriptors calculated from three-dimensional atomic properties: applications ranging from scaffold hopping to multi-target virtual screening},
  author = {Rafaela Gladysz and Fábio Mendes dos Santos and Wilfried Langenaeker and Gert Thijs and Koen Augustyns and Hans De Winter},
  year = {2018},
  doi = {10.1186/s13321-018-0268-9},
  url = {https://doi.org/10.1186/s13321-018-0268-9},
  researchr = {https://researchr.org/publication/GladyszSLTAW18},
  cites = {0},
  citedby = {0},
  journal = {J. Cheminformatics},
  volume = {10},
  number = {1},
}