Modeling of molecular atomization energies using machine learning

Matthias Rupp, Alexandre Tkatchenko, Klaus-Robert Müller, Anatole von Lilienfeld. Modeling of molecular atomization energies using machine learning. J. Cheminformatics, 4(S-1):33, 2012. [doi]

@article{RuppTML12,
  title = {Modeling of molecular atomization energies using machine learning},
  author = {Matthias Rupp and Alexandre Tkatchenko and Klaus-Robert Müller and Anatole von Lilienfeld},
  year = {2012},
  url = {http://www.jcheminf.com/content/4/S1/P33},
  researchr = {https://researchr.org/publication/RuppTML12},
  cites = {0},
  citedby = {0},
  journal = {J. Cheminformatics},
  volume = {4},
  number = {S-1},
  pages = {33},
}