Mapping and classifying molecules from a high-throughput structural database

Sandip De, Felix Musil, Teresa Ingram, Carsten Baldauf, Michele Ceriotti. Mapping and classifying molecules from a high-throughput structural database. J. Cheminformatics, 9(1), 2017. [doi]

@article{DeMIBC17,
  title = {Mapping and classifying molecules from a high-throughput structural database},
  author = {Sandip De and Felix Musil and Teresa Ingram and Carsten Baldauf and Michele Ceriotti},
  year = {2017},
  doi = {10.1186/s13321-017-0192-4},
  url = {http://dx.doi.org/10.1186/s13321-017-0192-4},
  researchr = {https://researchr.org/publication/DeMIBC17},
  cites = {0},
  citedby = {0},
  journal = {J. Cheminformatics},
  volume = {9},
  number = {1},
}