Fiche publication
Date publication
août 2017
Journal
Bioinformatics (Oxford, England)
Auteurs
Membres identifiés du Cancéropôle Est :
Pr GAQUEREL Emmanuel
Tous les auteurs :
Naake T, Gaquerel E
Lien Pubmed
Résumé
Among the main challenges in metabolomics are the rapid dereplication of previously characterized metabolites across a range of biological samples and the structural prediction of unknowns from MS/MS data. Here, we developed MetCirc to comprehensively align and calculate pairwise similarity scores among MS/MS spectral data and visualize these across a range of biological samples. MetCirc comprises functionalities to interactively organize these data according to compound familial groupings and to accelerate the discovery of shared metabolites and hypothesis formulation for unknowns. As such, MetCirc provides a significant advance to address biological questions in areas where chemodiversity plays a role.
Mots clés
Flowers, metabolism, Metabolomics, methods, Software, Tandem Mass Spectrometry, methods, Nicotiana, metabolism
Référence
Bioinformatics. 2017 08 1;33(15):2419-2420
