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RetroBioMCN

Repository for implementing retrobiosynthesis algorithms in MetClassNet

This repository contains:

  • Data folder: with the database of all reaction rules from the RetroRules tools [1] is stored and the list of reactions from organisms genome-scale metabolic networks (GSMNs) such as Human1 [2].
  • Mass_diff folder: contains the R notebook and outputs to extract mass differences list from reaction rules of selected organisms. The mass difference list intends to be used in the mass difference networks as developped in the MetClassNetR repository [3].

[1] RetroRules: https://retrorules.org/ [2] Human1 GSMN: https://metabolicatlas.org/ [3] MetClassNetR: https://github.com/MetClassNet/MetClassNetR