Workflow4Metabolomics: a collaborative research infrastructure for computational metabolomics

Novel algorithms and the benefits of comparative validation

(2013) R. Smith et al.   BIOINFORMATICS

Annotation of the Human Adult Urinary Metabolome and Metabolite Identification Using Ultra High Performance Liquid Chromatography Coupled to a Linear Quadrupole Ion Trap-Orbitrap Mass Spectrometer

(2012) Aurelie Roux et al.   ANALYTICAL CHEMISTRY

XCMS Online: A Web-Based Platform to Process Untargeted Metabolomic Data

(2012) Ralf Tautenhahn et al.   ANALYTICAL CHEMISTRY

CAMERA: An Integrated Strategy for Compound Spectra Extraction and Annotation of Liquid Chromatography/Mass Spectrometry Data Sets

(2011) Carsten Kuhl et al.   ANALYTICAL CHEMISTRY

MetExplore: a web server to link metabolomic experiments and genome-scale metabolic networks

(2010) L. Cottret et al.   NUCLEIC ACIDS RESEARCH

Galaxy: a comprehensive approach for supporting accessible, reproducible, and transparent computational research in the life sciences

(2010) Jeremy Goecks et al.   GENOME BIOLOGY

Analytical Error Reduction Using Single Point Calibration for Accurate and Precise Metabolomic Phenotyping

(2009) Frans M. van der Kloet et al.   JOURNAL OF PROTEOME RESEARCH

MetaboAnalyst: a web server for metabolomic data analysis and interpretation

(2009) J. Xia et al.   NUCLEIC ACIDS RESEARCH

MeltDB: a software platform for the analysis and integration of metabolomics experiment data

(2008) Heiko Neuweger et al.   BIOINFORMATICS

ProteoWizard: open source software for rapid proteomics tools development

(2008) Darren Kessner et al.   BIOINFORMATICS

Human metabolic phenotype diversity and its association with diet and blood pressure

(2008) Elaine Holmes et al.   NATURE

mzML: A single, unifying data format for mass spectrometer output

(2008) Eric Deutsch   PROTEOMICS