ChemRICH for Unknown Metabolites
Unidentified metabolites remain the greatest challenges in metabolomics. It is a highly tedious task to identify every signal we detect in an untargeted assay, therefore we need to prioritize these unknown metabolites for further structure elucidation work. To include them into metabolite sets, we can use 1) correlation modules and 2) sub-class/sub-structure information using MS/MS spectra. ChemRICH analysis can associate them with a phenotype of interest, and then we can rank the sets with known and unknown metabolites for further spectra interpretation and purchasing of the pure standard.