Machine Learning Estimates of Natural Product Conformational Energies

Matthias Rupp, Matthias R. Bauer, Rainer Wilcken, Andreas Lange, Michael Reutlinger, Frank M. Boeckler, Gisbert Schneider. Machine Learning Estimates of Natural Product Conformational Energies. PLoS Computational Biology, 10(1), 2014. [doi]

@article{RuppBWLRBS14,
  title = {Machine Learning Estimates of Natural Product Conformational Energies},
  author = {Matthias Rupp and Matthias R. Bauer and Rainer Wilcken and Andreas Lange and Michael Reutlinger and Frank M. Boeckler and Gisbert Schneider},
  year = {2014},
  doi = {10.1371/journal.pcbi.1003400},
  url = {http://dx.doi.org/10.1371/journal.pcbi.1003400},
  researchr = {https://researchr.org/publication/RuppBWLRBS14},
  cites = {0},
  citedby = {0},
  journal = {PLoS Computational Biology},
  volume = {10},
  number = {1},
}