TY - JOUR T1 - The LUX Score: A Metric for Lipidome Homology JF - bioRxiv DO - 10.1101/013847 SP - 013847 AU - Chakravarthy Marella AU - Andrew E Torda AU - Dominik Schwudke Y1 - 2015/01/01 UR - http://biorxiv.org/content/early/2015/08/19/013847.abstract N2 - Motivation We propose a method for estimating lipidome homologies analogous to the ones used in sequence analysis and phylo-genetics.Results Algorithms were developed to quantify the structural similarity between lipids and to compute chemical space models of sets of lipid structures and lipidomes. When all lipid molecules of the LIPIDMAPS structure database were mapped in such a chemical space, they automatically formed clusters corresponding to conventional chemical families. Homologies between the lipidomes of four yeast strains based on our LUX score reflected the genetic relationship, although the score is based solely on lipid structures.Availability www.lux.fz-borstel.de ER -