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atom-atom maps

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Theoretical and Computational Chemistry

SynTemp: Efficient Extraction of Graph-Based Reaction Rules from Large-Scale Reaction Databases

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

Version 1 posted 30 September 2024

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