Pre-parsed reaction rule files from RetroRules (rr02-rp3-hs)

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: rr02

diameters: 2 to 16

Hs handling: explicit

Compatibility: RetroPath RL 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