A biosynthetically informed distance measure to compare secondary metabolite profiles.

ABSTRACT: Secondary metabolite profiles are one of the most diverse phenotypes of organisms and can consist of a large number of compounds originating from a limited number of biosynthetic pathways. The statistical treatment of such profiles often is complicated due to their diversity as well as the intra- and interspecific variability in the quantitative and qualitative composition of secondary metabolites. Most importantly, the assumption of independence of the presence/absence and the quantity of compounds is violated due to the shared biosynthetic origin of many compounds. Therefore, I propose a biosynthetically informed pairwise distance measure that fully considers the biosynthesis of the compounds and thus quantifies the similarity in the enzymatic equipment of two samples. The biosynthetic s

SUBMITTER: Junker RR 

PROVIDER: S-EPMC5840250 | biostudies-literature | 2018

REPOSITORIES: biostudies-literature