Fast and Accurate Uncertainty Estimation in Chemical Machine Learning

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Authors: Félix Musil, Michael J. Willatt, Mikhail A. Langovoy, Michele Ceriotti

Journal title: Journal of Chemical Theory and Computation

Journal number: 15/2

Journal publisher: American Chemical Society

Published year: 2018

Published pages: 906-915

DOI identifier: 10.1021/acs.jctc.8b00959

ISSN: 1549-9618