Benchmarking machine-readable vectors of chemical reactions on computed activation barriers

Summary

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Authors: Puck van Gerwen, Ksenia R. Briling, Yannick Calvino Alonso, Malte Franke, Clemence Corminboeuf

Journal title: Digital Discovery

Journal publisher: Royal Society of Chemistry

Published year: 2024

DOI identifier: 10.1039/d3dd00175j

ISSN: 2635-098X