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Learning Chemistry of Complex Reaction Systems via a Python First-Principles Reaction Rule Stencil (pReSt) Generator

TitleLearning Chemistry of Complex Reaction Systems via a Python First-Principles Reaction Rule Stencil (pReSt) Generator
Publication TypeJournal Article
Year of Publication2021
AuthorsGupta, U, Vlachos, DG
JournalJournal of Chemical Information and Modeling
Volume61
ISSN1549-9596
DOI10.1021/acs.jcim.1c00297