Pre-parsed reaction rule files from RetroRules (rr01-rp2-hs)
DOI10.5281/zenodo.5827427Zenodo5827427MaRDI QIDQ6711222FDOQ6711222
Dataset published at Zenodo repository.
Jean-Loup Faulon, Pablo Carbonell, Melchior du Lac, Thomas Duigou
Publication date: 7 January 2022
Copyright license: Creative Commons Attribution 4.0 International
RetroRules (https://retrorules.org/) is a database of reaction rules for metabolic pathway discovery and metabolic engineering. Reaction rules are generic descriptions of reactions to be used in retrosynthesis workflows in order to enumerate possible biosynthetic routes connecting target molecules to precursors. The use of such rules is becoming more and more important in the context of synthetic biology applied to de novo pathway discovery and in systems biology to discover underground metabolism due to enzyme promiscuity. Pre-parsed reaction rule files are ready-to-use files that provide all the non-stereo reaction rules for diameter 2 to 16. The present dataset have the following specifications: release: rr01 diameters: 2 to 16 Hs handling: explicit Compatibility: RetroPath2.0 ready How to cite: Duigou T, du Lac M, Carbonell P, Faulon JL. RetroRules: a database of reaction rules for engineering biology. Nucleic Acids Research, 2019. | doi: 10.1093/nar/gky940 | PMID: 30321422
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