@article{montavon-mrs13, author = {Montavon,Gr{\'e}goire and M{\"u}ller,Klaus-Robert}, title = {Neural Networks for Computational Chemistry: Pitfalls and Recommendations}, journal = {MRS Online Proceedings Library}, volume = {1523}, year = {2013}, doi = {10.1557/opl.2013.189}, URL = {http://journals.cambridge.org/article_S1946427413001899}, }