Analytical and statistical approaches to metabolomics research

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Proposed minimum reporting standards for chemical analysis: Chemical Analysis Working Group (CAWG) Metabolomics Standards Initiative (MSI)

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Centering, scaling, and transformations: improving the biological information content of metabolomics data

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Probabilistic Quotient Normalization as Robust Method to Account for Dilution of Complex Biological Mixtures. Application in 1 H NMR Metabonomics

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Chemometrics in Metabonomics

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Metabolomics by numbers: acquiring and understanding global metabolite data

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Metabolomics: Current analytical platforms and methodologies

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Statistical Total Correlation Spectroscopy: An Exploratory Approach for Latent Biomarker Identification from Metabolic 1 H NMR Data Sets

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Targeted Profiling: Quantitative Analysis of 1 H NMR Metabolomics Data

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MZmine: toolbox for processing and visualization of mass spectrometry based molecular profile data

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Differential Metabolomics Reveals Ophthalmic Acid as an Oxidative Stress Biomarker Indicating Hepatic Glutathione Consumption

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Metabolomics: A Global Biochemical Approach to Drug Response and Disease

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Mass spectrometry in metabolome analysis

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Quantitative metabolomics using NMR

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Ultrahigh-Pressure Reversed-Phase Liquid Chromatography in Packed Capillary Columns

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Solvent-Dependent Metabolite Distribution, Clustering, and Protein Extraction for Serum Profiling with Mass Spectrometry

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The Metabolomics Standards Initiative (MSI)

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Within-Day Reproducibility of an HPLC−MS-Based Method for Metabonomic Analysis: Application to Human Urine

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NMR‐based metabonomic approaches for evaluating physiological influences on biofluid composition

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A comprehensive urinary metabolomic approach for identifying kidney cancer

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Proposed minimum reporting standards for data analysis in metabolomics

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Pattern recognition methods and applications in biomedical magnetic resonance

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Processing methods for differential analysis of LC/MS profile data

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Investigations of the Effects of Gender, Diurnal Variation, and Age in Human Urinary Metabolomic Profiles

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200 and More NMR Experiments: A Practical Course

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Analysis of Metabolomic Data Using Support Vector Machines

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Assessment of Analytical Reproducibility of 1 H NMR Spectroscopy Based Metabonomics for Large-Scale Epidemiological Research: the INTERMAP Study

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Statistical Heterospectroscopy, an Approach to the Integrated Analysis of NMR and UPLC-MS Data Sets: Application in Metabonomic Toxicology Studies

Crockford, D. J., Holmes, E. C., Lindon, J. C., Plumb, R. S., Zirah, S., Bruce, S. J., Rainville, P. D., Stumpf, C. L., & Nicholson, J. K. (2005) · Analytical Chemistry · doi:10.1021/ac051444m · Cited by 341 · see citing works

Metabolomics: building on a century of biochemistry to guide human health

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Detection of epithelial ovarian cancer using 1 H‐NMR‐based metabonomics

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Metabolome analysis by capillary electrophoresis–mass spectrometry

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Serum and Plasma Proteomics

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Analytical strategies for identifying drug metabolites

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Recursive SVM feature selection and sample classification for mass-spectrometry and microarray data

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Metabolomics: A Global Biochemical Approach to the Study of Central Nervous System Diseases

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Tandem mass spectrometry in the study of fatty acids, bile acids, and steroids

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Metabolite profiling of blood from individuals undergoing planned myocardial infarction reveals early markers of myocardial injury

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CE‐MS in metabolomics

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INTERMAP: background, aims, design, methods, and descriptive statistics (nondietary)

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Method for Determining Molar Concentrations of Metabolites in Complex Solutions from Two-Dimensional 1 H− 13 C NMR Spectra

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Biological sample collection and processing for molecular epidemiological studies

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The Consortium for Metabonomic Toxicology (COMET): Aims, Activities and Achievements

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A suite of algorithms for the comprehensive analysis of complex protein mixtures using high-resolution LC-MS

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Quantitative Measurement of Endogenous Estrogens and Estrogen Metabolites in Human Serum by Liquid Chromatography−Tandem Mass Spectrometry

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The Expanding Role of Mass Spectrometry in Metabolite Profiling and Characterization

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Measuring Fifteen Endogenous Estrogens Simultaneously in Human Urine by High-Performance Liquid Chromatography-Mass Spectrometry

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Discriminating Variable Test and Selectivity Ratio Plot: Quantitative Tools for Interpretation and Variable (Biomarker) Selection in Complex Spectral or Chromatographic Profiles

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Metabolic Profiling as a Tool for Understanding Mechanisms of Toxicity

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Peer Reviewed: So What’s the Deal with Metabonomics?

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Metabonomics: the use of electrospray mass spectrometry coupled to reversed‐phase liquid chromatography shows potential for the screening of rat urine in drug development

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Focused lipidomics by tandem mass spectrometry

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MetaboMiner – semi-automated identification of metabolites from 2D NMR spectra of complex biofluids

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Optimized metabolite extraction from blood serum for 1H nuclear magnetic resonance spectroscopy

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Critical assessment of alignment procedures for LC-MS proteomics and metabolomics measurements

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A Software Suite for the Generation and Comparison of Peptide Arrays from Sets of Data Collected by Liquid Chromatography-Mass Spectrometry

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In-Depth Characterization of Slurry Packed Capillary Columns with 1.0-μm Nonporous Particles Using Reversed-Phase Isocratic Ultrahigh-Pressure Liquid Chromatography

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Variation of metabolites in normal human urine

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Chemical Image Fusion. The Synergy of FT-NIR and Raman Mapping Microscopy To Enable a More Complete Visualization of Pharmaceutical Formulations

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Peer Reviewed: Systematic LC/MS Metabolite Identification in Drug Discovery

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Detection of Bladder Cancer in Human Urine by Metabolomic Profiling Using High Performance Liquid Chromatography/Mass Spectrometry

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Application of Mass Spectrometry for Metabolite Identification

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Ultrahigh-Resolution 1 H− 13 C HSQC Spectra of Metabolite Mixtures Using Nonlinear Sampling and Forward Maximum Entropy Reconstruction

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Structural Elucidation with NMR Spectroscopy: Practical Strategies for Organic Chemists

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Urinary Metabolite Quantification Employing 2D NMR Spectroscopy

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Web Server Based Complex Mixture Analysis by NMR

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Electrospray ionization mass spectrometry of

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A combined 1H NMR and HPLC–MS-based metabonomic study of urine from obese (fa/fa) Zucker and normal Wistar-derived rats

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Application of orthogonal signal correction to minimise the effects of physical and biological variation in high resolution 1H NMR spectra of biofluids

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d-Serine-induced nephrotoxicity: a HPLC–TOF/MS-based metabonomics approach

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NMR of biofluids and pattern recognition: assessing the impact of NMR parameters on the principal component analysis of urine from rat and mouse

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