Predicting Network Activity from High Throughput Metabolomics
A) In the work flow of untargeted metabolomics, the conventional approach requires the metabolites to be identified before pathway/network analysis, while mummichog (blue arrow) predicts functional activity bypassing metabolite identification. B) Each row of dots represent possible matches of metabolites from one m/z feature, red the true metabolite, gray the false matches. The conventional approach first requires the identification of metabolites before mapping them to the metabolic network. C) mummichog maps all possible metabolite matches to the network and looks for local enrichment, which reflects the true activity because the false matches will distribute randomly.