Graph Convolutional Neural Networks as “General-Purpose” Property Predictors: The Universality and Limits of Applicability
Author:
Affiliation:
1. Science Data Software, LLC, 14909 Forest Landing Circle, Rockville, Maryland 20850, United States
2. Department of Chemistry, Lomonosov Moscow State University, Leninskie gory, 1 bld. 3, Moscow 119991, Russia
Funder
Russian Science Foundation
Publisher
American Chemical Society (ACS)
Subject
Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.9b00587
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