This R-package aims to perform metabolite set enrichment analysis (MSEA) on single-cell metabolomics datasets. In contrast to bulk-metabolomics, metabolite annotation is often more ambiguous with fully resolved molecular structures. That means, annotations are vectors of isomeric (and/or isobaric) molecules, complicating downstream MSEA. This package uses a boostrapping approach by performing enrichment analyses many times with random sampling of the isomers/isobars.
This version is now obsolete. Please find the latest version of the pacakge (now named S2IsoMEr) here