(Q38263691)

1 September 2017

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title

Getting the right answers: understanding metabolomics challenges (English)

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1 September 2017

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3

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1 September 2017

Stephan Beisken

1

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PubMed ID

25354566

1 September 2017

Michael Eiden

series ordinal

2

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1 September 2017

30 October 2014

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Expert Review of Molecular Diagnostics: new diagnostic technologies are set to revolutionise healthcare

1 September 2017

1 reference

1 September 2017

15

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1 September 2017

97-109

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1 September 2017

1

1 reference

Parallel analysis of transcript and metabolic profiles: a new approach in systems biology

1 September 2017

1 reference

https://api.crossref.org/works/10.1586%2F14737159.2015.974562

Analytical and statistical approaches to metabolomics research

21 January 2018

1 reference

https://api.crossref.org/works/10.1586%2F14737159.2015.974562

False discovery rates in spectral identification

21 January 2018

1 reference

https://api.crossref.org/works/10.1586%2F14737159.2015.974562

Absolute metabolite concentrations and implied enzyme active site occupancy in Escherichia coli

21 January 2018

1 reference

https://api.crossref.org/works/10.1586%2F14737159.2015.974562

Role of thyroid hormones in human and laboratory animal reproductive health

21 January 2018

1 reference

https://api.crossref.org/works/10.1586%2F14737159.2015.974562

A 1H NMR-based metabonomic study of urine and plasma samples obtained from healthy human subjects

21 January 2018

1 reference

https://api.crossref.org/works/10.1586%2F14737159.2015.974562

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1586%2F14737159.2015.974562

Mass spectrometry in systems biology: an overview.

21 January 2018

1 reference

https://api.crossref.org/works/10.1586%2F14737159.2015.974562

Mass spectrometry-based metabolomics

21 January 2018

1 reference

https://api.crossref.org/works/10.1586%2F14737159.2015.974562

Metabolomics – the link between genotypes and phenotypes

21 January 2018

1 reference

https://api.crossref.org/works/10.1586%2F14737159.2015.974562

Metabolic fingerprinting as a diagnostic tool.

21 January 2018

1 reference

https://api.crossref.org/works/10.1586%2F14737159.2015.974562

Challenges in mass spectrometry based targeted metabolomics

21 January 2018

1 reference

https://api.crossref.org/works/10.1586%2F14737159.2015.974562

Metabolomics technology and bioinformatics

21 January 2018

1 reference

https://api.crossref.org/works/10.1586%2F14737159.2015.974562

Metabonomic fingerprints of fasting plasma and spot urine reveal human pre-diabetic metabolic traits

21 January 2018

1 reference

https://api.crossref.org/works/10.1586%2F14737159.2015.974562

Development of a lipid profiling system using reverse-phase liquid chromatography coupled to high-resolution mass spectrometry with rapid polarity switching and an automated lipid identification software

21 January 2018

1 reference

https://api.crossref.org/works/10.1586%2F14737159.2015.974562

How unbiased is non-targeted metabolomics and is targeted pathway screening the solution?

21 January 2018

1 reference

https://api.crossref.org/works/10.1586%2F14737159.2015.974562

How Large Is the Metabolome? A Critical Analysis of Data Exchange Practices in Chemistry

21 January 2018

1 reference

https://api.crossref.org/works/10.1586%2F14737159.2015.974562

HMDB 3.0--The Human Metabolome Database in 2013

21 January 2018

1 reference

https://api.crossref.org/works/10.1586%2F14737159.2015.974562

Innovation: Metabolomics: the apogee of the omics trilogy

21 January 2018

1 reference

https://api.crossref.org/works/10.1586%2F14737159.2015.974562

Liquid chromatography-mass spectrometry in metabolomics research: mass analyzers in ultra high pressure liquid chromatography coupling

21 January 2018

1 reference

https://api.crossref.org/works/10.1586%2F14737159.2015.974562

Quantitative metabolomic profiling of serum, plasma, and urine by (1)H NMR spectroscopy discriminates between patients with inflammatory bowel disease and healthy individuals

21 January 2018

1 reference

https://api.crossref.org/works/10.1586%2F14737159.2015.974562

21 January 2018

LC-MS-based metabolomics

1 reference

https://api.crossref.org/works/10.1586%2F14737159.2015.974562

Serum metabolome and lipidome changes in adult patients with primary dengue infection.

21 January 2018

1 reference

https://api.crossref.org/works/10.1586%2F14737159.2015.974562

Mass spectrometry-based metabolic profiling reveals different metabolite patterns in invasive ovarian carcinomas and ovarian borderline tumors.

21 January 2018

1 reference

https://api.crossref.org/works/10.1586%2F14737159.2015.974562

Capillary electrophoresis mass spectrometry-based saliva metabolomics identified oral, breast and pancreatic cancer-specific profiles

21 January 2018

1 reference

https://api.crossref.org/works/10.1586%2F14737159.2015.974562

The role of metabolomics in neurological disease

21 January 2018

1 reference

https://api.crossref.org/works/10.1586%2F14737159.2015.974562

Identification of serum metabolites associated with risk of type 2 diabetes using a targeted metabolomic approach

21 January 2018

1 reference

https://api.crossref.org/works/10.1586%2F14737159.2015.974562

Saliva metabolomics opens door to biomarker discovery, disease diagnosis, and treatment

21 January 2018

1 reference

https://api.crossref.org/works/10.1586%2F14737159.2015.974562

Metabolomics reveals metabolic biomarkers of Crohn's disease

21 January 2018

1 reference

https://api.crossref.org/works/10.1586%2F14737159.2015.974562

(1)H NMR based metabonomics of human amniotic fluid for the metabolic characterization of fetus malformations.

21 January 2018

1 reference

https://api.crossref.org/works/10.1586%2F14737159.2015.974562

Lipidomic analysis of variation in response to simvastatin in the Cholesterol and Pharmacogenetics Study.

21 January 2018

1 reference

https://api.crossref.org/works/10.1586%2F14737159.2015.974562

Serum lipidomics profiling using LC-MS and high-energy collisional dissociation fragmentation: focus on triglyceride detection and characterization

21 January 2018

1 reference

https://api.crossref.org/works/10.1586%2F14737159.2015.974562

MALDI TOF MS profiling of bacteria at the strain level: a review

21 January 2018

1 reference

https://api.crossref.org/works/10.1586%2F14737159.2015.974562

Mass spectrometry: a revolution in clinical microbiology?

21 January 2018

1 reference

https://api.crossref.org/works/10.1586%2F14737159.2015.974562

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1586%2F14737159.2015.974562

Metabolite profiling of a NIST Standard Reference Material for human plasma (SRM 1950): GC-MS, LC-MS, NMR, and clinical laboratory analyses, libraries, and web-based resources

21 January 2018

1 reference

https://api.crossref.org/works/10.1586%2F14737159.2015.974562

Fusion of mass spectrometry-based metabolomics data

21 January 2018

1 reference

https://api.crossref.org/works/10.1586%2F14737159.2015.974562

Knowledge discovery in metabolomics: an overview of MS data handling

21 January 2018

1 reference

https://api.crossref.org/works/10.1586%2F14737159.2015.974562

Why have so few proteomic biomarkers "survived" validation? (Sample size and independent validation considerations).

21 January 2018

1 reference

https://api.crossref.org/works/10.1586%2F14737159.2015.974562

Computer-assisted structure identification (CASI)--an automated platform for high-throughput identification of small molecules by two-dimensional gas chromatography coupled to mass spectrometry

21 January 2018

1 reference

https://api.crossref.org/works/10.1586%2F14737159.2015.974562

Separating the wheat from the chaff: a prioritisation pipeline for the analysis of metabolomics datasets

21 January 2018

1 reference

https://api.crossref.org/works/10.1586%2F14737159.2015.974562

Automated pipeline for de novo metabolite identification using mass-spectrometry-based metabolomics

21 January 2018

1 reference

https://api.crossref.org/works/10.1586%2F14737159.2015.974562

Instrument and process independent binning and baseline correction methods for liquid chromatography-high resolution-mass spectrometry deconvolution

21 January 2018

1 reference

https://api.crossref.org/works/10.1586%2F14737159.2015.974562

A retention-time-shift-tolerant background subtraction and noise reduction algorithm (BgS-NoRA) for extraction of drug metabolites in liquid chromatography/mass spectrometry data from biological matrices

21 January 2018

1 reference

https://api.crossref.org/works/10.1586%2F14737159.2015.974562

Algorithm for thorough background subtraction of high-resolution LC/MS data: application to obtain clean product ion spectra from nonselective collision-induced dissociation experiments.

21 January 2018

1 reference

https://api.crossref.org/works/10.1586%2F14737159.2015.974562

Baseline correction method using an orthogonal basis for gas chromatography/mass spectrometry data

21 January 2018

1 reference

https://api.crossref.org/works/10.1586%2F14737159.2015.974562

Perspectives on recent advances in the speed of high-performance liquid chromatography

21 January 2018

1 reference

https://api.crossref.org/works/10.1586%2F14737159.2015.974562

Quantification and deconvolution of asymmetric LC-MS peaks using the bi-Gaussian mixture model and statistical model selection

21 January 2018

1 reference

https://api.crossref.org/works/10.1586%2F14737159.2015.974562

Review of peak detection algorithms in liquid-chromatography-mass spectrometry

21 January 2018

1 reference

https://api.crossref.org/works/10.1586%2F14737159.2015.974562

Improved peak detection in mass spectrum by incorporating continuous wavelet transform-based pattern matching

21 January 2018

1 reference

https://api.crossref.org/works/10.1586%2F14737159.2015.974562

BATMAN--an R package for the automated quantification of metabolites from nuclear magnetic resonance spectra using a Bayesian model.

21 January 2018

1 reference

https://api.crossref.org/works/10.1586%2F14737159.2015.974562

Development of a Standard Reference Material for metabolomics research

21 January 2018

1 reference

https://api.crossref.org/works/10.1586%2F14737159.2015.974562

Further conventions for NMR shielding and chemical shifts (IUPAC Recommendations 2008).

21 January 2018

1 reference

https://api.crossref.org/works/10.1586%2F14737159.2015.974562

Chromatographic alignment of ESI-LC-MS proteomics data sets by ordered bijective interpolated warping.

21 January 2018

1 reference

https://api.crossref.org/works/10.1586%2F14737159.2015.974562

Clustering with position-specific constraints on variance: applying redescending M-estimators to label-free LC-MS data analysis

21 January 2018

1 reference

https://api.crossref.org/works/10.1586%2F14737159.2015.974562

Automatic alignment of individual peaks in large high-resolution spectral data sets

21 January 2018

1 reference

https://api.crossref.org/works/10.1586%2F14737159.2015.974562

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1586%2F14737159.2015.974562

MSClust: a tool for unsupervised mass spectra extraction of chromatography-mass spectrometry ion-wise aligned data

21 January 2018

1 reference

https://api.crossref.org/works/10.1586%2F14737159.2015.974562

CAMERA: an integrated strategy for compound spectra extraction and annotation of liquid chromatography/mass spectrometry data sets

21 January 2018

1 reference

https://api.crossref.org/works/10.1586%2F14737159.2015.974562

Pre-processing liquid chromatography/high-resolution mass spectrometry data: extracting pure mass spectra by deconvolution from the invariance of isotopic distribution

21 January 2018

1 reference

https://api.crossref.org/works/10.1586%2F14737159.2015.974562

Bioinformatics Tools for Mass Spectroscopy-Based Metabolomic Data Processing and Analysis

21 January 2018

1 reference

https://api.crossref.org/works/10.1586%2F14737159.2015.974562

Influence of missing values substitutes on multivariate analysis of metabolomics data

21 January 2018

1 reference

https://api.crossref.org/works/10.1586%2F14737159.2015.974562

Statistical strategies for avoiding false discoveries in metabolomics and related experiments

21 January 2018

1 reference

https://api.crossref.org/works/10.1586%2F14737159.2015.974562

MetaboLyzer: a novel statistical workflow for analyzing Postprocessed LC-MS metabolomics data

21 January 2018

1 reference

https://api.crossref.org/works/10.1586%2F14737159.2015.974562

Ultraperformance liquid chromatography-mass spectrometry based comprehensive metabolomics combined with pattern recognition and network analysis methods for characterization of metabolites and metabolic pathways from biological data sets

21 January 2018

1 reference

https://api.crossref.org/works/10.1586%2F14737159.2015.974562

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1586%2F14737159.2015.974562

MSPrep--summarization, normalization and diagnostics for processing of mass spectrometry-based metabolomic data

21 January 2018

1 reference

https://api.crossref.org/works/10.1586%2F14737159.2015.974562

Potential of metabolomics as a functional genomics tool.

21 January 2018

1 reference

https://api.crossref.org/works/10.1586%2F14737159.2015.974562

Metabolomics Standards Workshop and the development of international standards for reporting metabolomics experimental results

21 January 2018

1 reference

https://api.crossref.org/works/10.1586%2F14737159.2015.974562

Establishing reporting standards for metabolomic and metabonomic studies: a call for participation

21 January 2018

1 reference

https://api.crossref.org/works/10.1586%2F14737159.2015.974562

Standard reporting requirements for biological samples in metabolomics experiments: environmental context

21 January 2018

1 reference

https://api.crossref.org/works/10.1586%2F14737159.2015.974562

Proposed minimum reporting standards for chemical analysis

21 January 2018

1 reference

https://api.crossref.org/works/10.1586%2F14737159.2015.974562

Standard reporting requirements for biological samples in metabolomics experiments: microbial and in vitro biology experiments.

21 January 2018

1 reference

https://api.crossref.org/works/10.1586%2F14737159.2015.974562

MetaboLights--an open-access general-purpose repository for metabolomics studies and associated meta-data

21 January 2018

1 reference

https://api.crossref.org/works/10.1586%2F14737159.2015.974562

The MetaboLights repository: curation challenges in metabolomics

21 January 2018

1 reference

https://api.crossref.org/works/10.1586%2F14737159.2015.974562

MetaboLights: towards a new COSMOS of metabolomics data management

21 January 2018

1 reference

https://api.crossref.org/works/10.1586%2F14737159.2015.974562

The role of reporting standards for metabolite annotation and identification in metabolomic studies

21 January 2018

1 reference

https://api.crossref.org/works/10.1586%2F14737159.2015.974562

The food metabolome: a window over dietary exposure

21 January 2018

1 reference

https://api.crossref.org/works/10.1586%2F14737159.2015.974562

Mass spectral reference libraries: an ever-expanding resource for chemical identification

21 January 2018

1 reference

https://api.crossref.org/works/10.1586%2F14737159.2015.974562

An untargeted metabolomic workflow to improve structural characterization of metabolites

21 January 2018

1 reference

https://api.crossref.org/works/10.1586%2F14737159.2015.974562

A fast NMR method for resonance assignments: application to metabolomics

21 January 2018

1 reference

https://api.crossref.org/works/10.1586%2F14737159.2015.974562

Two-dimensional J-resolved NMR spectroscopy: review of a key methodology in the metabolomics toolbox

21 January 2018

1 reference

https://api.crossref.org/works/10.1586%2F14737159.2015.974562

Advances in Nuclear Magnetic Resonance for Drug Discovery

21 January 2018

1 reference

https://api.crossref.org/works/10.1586%2F14737159.2015.974562

Recent advances in computational predictions of NMR parameters for the structure elucidation of carbohydrates: methods and limitations.

21 January 2018

1 reference

https://api.crossref.org/works/10.1586%2F14737159.2015.974562

Interferences and contaminants encountered in modern mass spectrometry

21 January 2018

1 reference

https://api.crossref.org/works/10.1586%2F14737159.2015.974562

Correcting ligands, metabolites, and pathways

21 January 2018

1 reference

https://api.crossref.org/works/10.1586%2F14737159.2015.974562

Seven Golden Rules for heuristic filtering of molecular formulas obtained by accurate mass spectrometry

21 January 2018

1 reference

https://api.crossref.org/works/10.1586%2F14737159.2015.974562

Metabolomic database annotations via query of elemental compositions: mass accuracy is insufficient even at less than 1 ppm

21 January 2018

1 reference

https://api.crossref.org/works/10.1586%2F14737159.2015.974562

Robust automated mass spectra interpretation and chemical formula calculation using mixed integer linear programming

21 January 2018

1 reference

https://api.crossref.org/works/10.1586%2F14737159.2015.974562

NMR-based metabolomics in human disease diagnosis: applications, limitations, and recommendations

21 January 2018

1 reference

https://api.crossref.org/works/10.1586%2F14737159.2015.974562

Quantitative metabolomics using NMR

21 January 2018

1 reference

https://api.crossref.org/works/10.1586%2F14737159.2015.974562

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1586%2F14737159.2015.974562

A metabolome pipeline: from concept to data to knowledge

21 January 2018

1 reference

https://api.crossref.org/works/10.1586%2F14737159.2015.974562

Summary recommendations for standardization and reporting of metabolic analyses

21 January 2018

1 reference

https://api.crossref.org/works/10.1586%2F14737159.2015.974562

A proposed framework for the description of plant metabolomics experiments and their results

21 January 2018

1 reference

https://api.crossref.org/works/10.1586%2F14737159.2015.974562

The Metabolomics Standards Initiative

21 January 2018

1 reference

https://api.crossref.org/works/10.1586%2F14737159.2015.974562

Proposed minimum reporting standards for data analysis in metabolomics

21 January 2018

1 reference

https://api.crossref.org/works/10.1586%2F14737159.2015.974562

Savitzky–Golay smoothing and differentiation filter for even number data

21 January 2018

1 reference

https://api.crossref.org/works/10.1586%2F14737159.2015.974562

Proposed reporting requirements for the description of NMR-based metabolomics experiments

21 January 2018

1 reference

https://api.crossref.org/works/10.1586%2F14737159.2015.974562

Global metabolic profiling procedures for urine using UPLC–MS

21 January 2018

1 reference

https://api.crossref.org/works/10.1586%2F14737159.2015.974562

Optimized Preprocessing of Ultra-Performance Liquid Chromatography/Mass Spectrometry Urinary Metabolic Profiles for Improved Information Recovery

21 January 2018

1 reference

https://api.crossref.org/works/10.1586%2F14737159.2015.974562

Semi-supervised LC/MS alignment for differential proteomics

21 January 2018

1 reference

https://api.crossref.org/works/10.1586%2F14737159.2015.974562

10.1586/14737159.2015.974562

21 January 2018

Identifiers

DOI

1 reference

1 September 2017

1 reference

PubMed ID

25354566