Many-Body Descriptors for Predicting Molecular Properties with Machine Learning: Analysis of Pairwise and Three-Body Interactions in Molecules

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Authors: Wiktor Pronobis, Alexandre Tkatchenko, Klaus-Robert Müller

Journal title: Journal of Chemical Theory and Computation

Journal number: 14/6

Journal publisher: American Chemical Society

Published year: 2018

Published pages: 2991-3003

DOI identifier: 10.1021/acs.jctc.8b00110

ISSN: 1549-9618