An innovative chemometric method for processing direct introduction high resolution mass spectrometry metabolomic data: independent component–discriminant analysis (IC–DA)

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

Corrigendum to ‘Independent Components Analysis with the JADE algorithm’

(2015) D.N. Rutledge et al.   TRAC-TRENDS IN ANALYTICAL CHEMISTRY

Workflow4Metabolomics: a collaborative research infrastructure for computational metabolomics

(2014) F. Giacomoni et al.   BIOINFORMATICS

Direct infusion mass spectrometry metabolomics dataset: a benchmark for data processing and quality control

(2014) Jennifer A Kirwan et al.   Scientific Data

Characterising and correcting batch variation in an automated direct infusion mass spectrometry (DIMS) metabolomics workflow

(2013) J. A. Kirwan et al.   ANALYTICAL AND BIOANALYTICAL CHEMISTRY

Classification tools in chemistry. Part 1: linear models. PLS-DA

(2013) Davide Ballabio et al.   Analytical Methods

Metabolomics Tools for Describing Complex Pesticide Exposure in Pregnant Women in Brittany (France)

(2013) Nathalie Bonvallot et al.   PLoS One

Application of Ultraperformance Liquid Chromatography/Mass Spectrometry–Based Metabonomic Techniques to Analyze the Joint Toxic Action of Long-term Low-Level Exposure to a Mixture of Organophosphate Pesticides on Rat Urine Profile

(2013) Longfei Du et al.   TOXICOLOGICAL SCIENCES

Independent Components Analysis with the JADE algorithm

(2013) D.N. Rutledge et al.   TRAC-TRENDS IN ANALYTICAL CHEMISTRY

Metabolomic Characterization of Laborers Exposed to Welding Fumes

(2012) Ching-Hua Kuo et al.   CHEMICAL RESEARCH IN TOXICOLOGY

Characterization of petroleum-based products by infrared spectroscopy and chemometrics

(2012) Mohammadreza Khanmohammadi et al.   TRAC-TRENDS IN ANALYTICAL CHEMISTRY

Characterization of Isotopic Abundance Measurements in High Resolution FT-ICR and Orbitrap Mass Spectra for Improved Confidence of Metabolite Identification

(2011) Ralf J. M. Weber et al.   ANALYTICAL CHEMISTRY

Detection and formation scenario of citric acid, pyruvic acid, and other possible metabolism precursors in carbonaceous meteorites

(2011) G. Cooper et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Metabolomic analysis of the toxic effects of chronic exposure to low-level dichlorvos on rats using ultra-performance liquid chromatography–mass spectrometry

(2011) Jindan Yang et al.   TOXICOLOGY LETTERS

Direct infusion mass spectrometry or liquid chromatography mass spectrometry for human metabonomics? A serum metabonomic study of kidney cancer

(2010) Lin Lin et al.   ANALYST

Application of Metabolomics to Investigate the Process of Human Orthotopic Liver Transplantation: A Proof-of-Principle Study

(2010) Olga Hrydziuszko et al.   OMICS-A JOURNAL OF INTEGRATIVE BIOLOGY

Insulin Sensitivity Is Reflected by Characteristic Metabolic Fingerprints - A Fourier Transform Mass Spectrometric Non-Targeted Metabolomics Approach

(2010) Marianna Lucio et al.   PLoS One

Validation of bioanalytical LC–MS/MS assays: Evaluation of matrix effects

(2009) Ann Van Eeckhaut et al.   JOURNAL OF CHROMATOGRAPHY B-ANALYTICAL TECHNOLOGIES IN THE BIOMEDICAL AND LIFE SCIENCES

A signal filtering method for improved quantification and noise discrimination in fourier transform ion cyclotron resonance mass spectrometry-based metabolomics data

(2009) Tristan G. Payne et al.   JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY

Direct Introduction of Biological Samples into a LTQ-Orbitrap Hybrid Mass Spectrometer as a Tool for Fast Metabolome Analysis

(2008) Geoffrey Madalinski et al.   ANALYTICAL CHEMISTRY

Highly sensitive feature detection for high resolution LC/MS

(2008) Ralf Tautenhahn et al.   BMC BIOINFORMATICS

Towards high-throughput metabolomics using ultrahigh-field Fourier transform ion cyclotron resonance mass spectrometry

(2008) Jun Han et al.   Metabolomics

Independent component analysis and its applications in signal processing for analytical chemistry

(2008) Guoqing Wang et al.   TRAC-TRENDS IN ANALYTICAL CHEMISTRY

Visualization of GC/TOF-MS-Based Metabolomics Data for Identification of Biochemically Interesting Compounds Using OPLS Class Models

(2007) Susanne Wiklund et al.   ANALYTICAL CHEMISTRY