KniMet: a pipeline for the processing of chromatography–mass spectrometry metabolomics data

Create, run, share, publish, and reference your LC–MS, FIA–MS, GC–MS, and NMR data analysis workflows with the Workflow4Metabolomics 3.0 Galaxy online infrastructure for metabolomics

(2017) Yann Guitton et al.   INTERNATIONAL JOURNAL OF BIOCHEMISTRY & CELL BIOLOGY

Bioinformatics can boost metabolomics research

(2017) René Meier et al.   JOURNAL OF BIOTECHNOLOGY

OpenMS – A platform for reproducible analysis of mass spectrometry data

(2017) Julianus Pfeuffer et al.   JOURNAL OF BIOTECHNOLOGY

A complete workflow for high-resolution spectral-stitching nanoelectrospray direct-infusion mass-spectrometry-based metabolomics and lipidomics

(2017) Andrew D Southam et al.   Nature Protocols

HMDB 4.0: the human metabolome database for 2018

(2017) David S Wishart et al.   NUCLEIC ACIDS RESEARCH

Cross sectional evaluation of the gut-microbiome metabolome axis in an Italian cohort of IBD patients

(2017) Maria Laura Santoru et al.   Scientific Reports

Computational tools and workflows in metabolomics: An international survey highlights the opportunity for harmonisation through Galaxy

(2016) Ralf J. M. Weber et al.   Metabolomics

Non-targeted UHPLC-MS metabolomic data processing methods: a comparative investigation of normalisation, missing value imputation, transformation and scaling

(2016) Riccardo Di Guida et al.   Metabolomics

Analysis of the Human Adult Urinary Metabolome Variations with Age, Body Mass Index, and Gender by Implementing a Comprehensive Workflow for Univariate and OPLS Statistical Analyses

(2015) Etienne A. Thévenot et al.   JOURNAL OF PROTEOME RESEARCH

Data standards can boost metabolomics research, and if there is a will, there is a way

(2015) Philippe Rocca-Serra et al.   Metabolomics

Workflow4Metabolomics: a collaborative research infrastructure for computational metabolomics

(2014) F. Giacomoni et al.   BIOINFORMATICS

MassCascade: Visual Programming for LC-MS Data Processing in Metabolomics

(2014) Stephan Beisken et al.   Molecular Informatics

Ten Simple Rules for Reproducible Computational Research

(2013) Geir Kjetil Sandve et al.   PLoS Computational Biology

MissForest--non-parametric missing value imputation for mixed-type data

(2011) D. J. Stekhoven et al.   BIOINFORMATICS

Procedures for large-scale metabolic profiling of serum and plasma using gas chromatography and liquid chromatography coupled to mass spectrometry

(2011) Warwick B Dunn et al.   Nature Protocols

Integration of metabolomics in heart disease and diabetes research: current achievements and future outlook

(2011) Warwick B Dunn et al.   Bioanalysis