@article{HanMonBieFazRupSchLilTkaMue13, author = {Hansen, Katja and Montavon, Gr{\'e}goire and Biegler, Franziska and Fazli, Siamac and Rupp, Matthias and Scheffler, Matthias and von Lilienfeld, O. Anatole and Tkatchenko, Alexandre and M{\"u}ller, Klaus-Robert}, title = "Assessment and Validation of Machine Learning Methods for Predicting Molecular Atomization Energies", journal = "Journal of Chemical Theory and Computation", volume = "9", number = "8", pages = "3404--3419", year = "2013", doi = "10.1021/ct400195d" }