@inproceedings{learninginvariantrepresentationsof,
  title = {Learning Invariant Representations of Molecules for Atomization Energy Prediction},
  author = {Grégoire Montavon and Katja Hansen and Siamac Fazli and Matthias Rupp and Franziska Biegler and Andreas Ziehe and Alexandre Tkatchenko and Anatole V. Lilienfeld and Klaus-Robert Müller},
  year = {2012},
  booktitle = {NeurIPS 2012 12},
  url = {http://papers.nips.cc/paper/4830-learning-invariant-representations-of-molecules-for-atomization-energy-prediction},
}