Reference

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Tieu-Long Phan, Klaus Weinbauer, Marcos E González Laffitte, Yingjie Pan, Daniel Merkle, Jakob L Andersen, Rolf Fagerberg, Christoph Flamm, and Peter F Stadler. Syntemp: efficient extraction of graph-based reaction rules from large-scale reaction databases. Journal of Chemical Information and Modeling, 65(6):2882–2896, 2025.