<tt>SynTemp</tt>: Efficient Extraction of Graph-Based Reaction Rules from Large-Scale Reaction Databases

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Authors: Tieu-Long Phan, Klaus Weinbauer, Marcos E. González Laffitte, Yingjie Pan, Daniel Merkle, Jakob L. Andersen, Rolf Fagerberg, Christoph Flamm, Peter F. Stadler

Journal title: Journal of Chemical Information and Modeling

Journal number: 65

Journal publisher: American Chemical Society (ACS)

Published year: 2025

DOI identifier: 10.1021/ACS.JCIM.4C01795

ISSN: 1549-9596