WiPP: Workflow for Improved Peak Picking for Gas Chromatography-Mass Spectrometry (GC-MS) Data

WiPP: Workflow for Improved Peak Picking for Gas Chromatography-Mass Spectrometry (GC-MS) Data

Lack of reliable peak detection impedes automated analysis of large-scale gas chromatography-mass spectrometry (GC-MS) metabolomics datasets. Performance and outcome of individual peak-picking algorithms can differ widely depending on both algorithmic approach and parameters, as well as data acquisi...

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Bibliographic Details
Main Authors: Nico Borgsmüller, Yoann Gloaguen, Tobias Opialla, Eric Blanc, Emilie Sicard, Anne-Lise Royer, Bruno Le Bizec, Stéphanie Durand, Carole Migné, Mélanie Pétéra, Estelle Pujos-Guillot, Franck Giacomoni, Yann Guitton, Dieter Beule, Jennifer Kirwan
Format: Article
Language:English
Published: MDPI AG 2019-08-01
Series:Metabolites
Subjects:
gas chromatography-mass spectrometry (GC-MS)
metabolomics
peak detection
peak classification
pre-processing workflow
parameter optimisation
machine learning
support vector machine
Online Access:https://www.mdpi.com/2218-1989/9/9/171

Internet

https://www.mdpi.com/2218-1989/9/9/171

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