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

Galaxy-M: a Galaxy workflow for processing and analyzing direct infusion and liquid chromatography mass spectrometry-based metabolomics data

(2016) Robert L. Davidson et al.   GigaScience

Comprehensive metabolomics to evaluate the impact of industrial processing on the phytochemical composition of vegetable purees

(2015) Patricia Lopez-Sanchez et al.   FOOD CHEMISTRY

Workflow4Metabolomics: a collaborative research infrastructure for computational metabolomics

(2014) F. Giacomoni et al.   BIOINFORMATICS

Comparative LC–MS-based metabolite profiling of the ancient tropical rainforest tree Symphonia globulifera

(2014) Kévin Cottet et al.   PHYTOCHEMISTRY

Metabolomics as a Potential Chemotaxonomical Tool: Application in the Genus Vernonia Schreb

(2014) Maria Elvira Poleti Martucci et al.   PLoS One

Effect of sleep deprivation on the human metabolome

(2014) S. K. Davies et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

A new approach to untargeted integration of high resolution liquid chromatography–mass spectrometry data

(2013) Frans M. van der Kloet et al.   ANALYTICA CHIMICA ACTA

MetaboLyzer: A Novel Statistical Workflow for Analyzing Postprocessed LC–MS Metabolomics Data

(2013) Tytus D. Mak et al.   ANALYTICAL CHEMISTRY

Normalizing and Integrating Metabolomics Data

(2012) Alysha M. De Livera et al.   ANALYTICAL CHEMISTRY

Technical and Biological Variation in UPLC−MS-Based Untargeted Metabolic Profiling of Liver Extracts: Application in an Experimental Toxicity Study on Galactosamine

(2011) Perrine Masson et al.   ANALYTICAL CHEMISTRY

PeakML/mzMatch: A File Format, Java Library, R Library, and Tool-Chain for Mass Spectrometry Data Analysis

(2011) Richard A. Scheltema et al.   ANALYTICAL CHEMISTRY

Probabilistic principal component analysis for metabolomic data

(2011) Gift Nyamundanda et al.   BMC BIOINFORMATICS

Missing values in mass spectrometry based metabolomics: an undervalued step in the data processing pipeline

(2011) Olga Hrydziuszko et al.   Metabolomics

State-of-the art data normalization methods improve NMR-based metabolomic analysis

(2011) Stefanie M. Kohl et al.   Metabolomics

The metabolome of human placental tissue: investigation of first trimester tissue and changes related to preeclampsia in late pregnancy

(2011) Warwick B. Dunn et al.   Metabolomics

Web-based inference of biological patterns, functions and pathways from metabolomic data using MetaboAnalyst

(2011) Jianguo Xia et al.   Nature Protocols

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

MZmine 2: Modular framework for processing, visualizing, and analyzing mass spectrometry-based molecular profile data

(2010) Tomáš Pluskal et al.   BMC BIOINFORMATICS

1H NMR, GC−EI-TOFMS, and Data Set Correlation for Fruit Metabolomics: Application to Spatial Metabolite Analysis in Melon

(2009) Benoit Biais et al.   ANALYTICAL CHEMISTRY

ProteoWizard: open source software for rapid proteomics tools development

(2008) Darren Kessner et al.   BIOINFORMATICS

A GC-TOF-MS study of the stability of serum and urine metabolomes during the UK Biobank sample collection and preparation protocols

(2008) W. B Dunn et al.   INTERNATIONAL JOURNAL OF EPIDEMIOLOGY

Metabolic profiling of serum using Ultra Performance Liquid Chromatography and the LTQ-Orbitrap mass spectrometry system

(2008) Warwick B. Dunn et al.   JOURNAL OF CHROMATOGRAPHY B-ANALYTICAL TECHNOLOGIES IN THE BIOMEDICAL AND LIFE SCIENCES

Treatment of missing values for multivariate statistical analysis of gel-based proteomics data

(2008) Romina Pedreschi et al.   PROTEOMICS