Many-Body Descriptors for Predicting Molecular Properties...

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Journal of Chemical Theory and Computation 2018 / 05

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

Pronobis, Wiktor, Tkatchenko, Alexandre, Müller, Klaus-Robert
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Language:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.8b00110
Date:
May, 2018
File:
PDF, 29.73 MB
english, 2018
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