@inproceedings{NIPS2012_115f8950, author = {Montavon, Gr\'{e}goire and Hansen, Katja and Fazli, Siamac and Rupp, Matthias and Biegler, Franziska and Ziehe, Andreas and Tkatchenko, Alexandre and Lilienfeld, Anatole and M\"{u}ller, Klaus-Robert}, booktitle = {Advances in Neural Information Processing Systems}, editor = {F. Pereira and C.J. Burges and L. Bottou and K.Q. Weinberger}, pages = {}, publisher = {Curran Associates, Inc.}, title = {Learning Invariant Representations of Molecules for Atomization Energy Prediction}, url = {https://proceedings.neurips.cc/paper_files/paper/2012/file/115f89503138416a242f40fb7d7f338e-Paper.pdf}, volume = {25}, year = {2012} }