New tools and workflows on W4M, the Galaxy metabolomic infrastructure

Marion Landi (1) , Claire Lopez (1) , Marie Tremblay-Franco (2) , Cécile Canlet (2) , Yann Guitton (3) , Daniel Jacob (4) , Gildas Le Corguillé (5) , Jean-Francois Martin (2) , Misharl Monsoor (5) , Nils Paulhe (1) , Mélanie Pétéra (1) , Camille Vacquie (5) , Franck Giacomoni (1) , Estelle Pujos-Guillot (1) , Christophe Caron (5) , Etienne Thévenot (6)

1 UNH - Unité de Nutrition Humaine
2 E20 - MetaToul AXIOM
3 IRISA - Institut de Recherche en Informatique et Systèmes Aléatoires
4 BFP - Biologie du fruit et pathologie
5 ABIMS - ABiMS - Informatique et bioinformatique = Analysis and Bioinformatics for Marine Science
6 LADIS (CEA, LIST) - Laboratoire d'analyse des données et d'intelligence des systèmes (CEA, LIST)

New and innovative modules dedicated to 1D NMR spectra processing have been developed and integrated in Galaxy. These tools are focused on NMR specific process, such as construction of a binned data from spectra (bucketing), several normalisation methods, and annotation. This work within Galaxy has opened the door to the possibility of creating workflows including all the data treatment steps in metabolomic for each analytical technique.

Mots clés: statistical analysis; spectrum analysis; artificial intelligence; classification; annotation; LC-MS; metabolomics; workflow; liquid chromatography; mass spectrometry; signal processing

Domaines: Bio-informatique [q-bio.QM]; Génomique, Transcriptomique et Protéomique [q-bio.GN]

Marion Landi, Claire Lopez, Marie Tremblay-Franco, Cécile Canlet, Yann Guitton, et al.. New tools and workflows on W4M, the Galaxy metabolomic infrastructure. 9e Journées scientifiques du RFMF, Jun 2015, Lille, France. , 2015. ⟨hal-02743697⟩