Metabolomics

Metabolomics is the comprehensive scientific study of metabolites—small molecules that are substrates, intermediates, and products of cellular metabolism—to characterize the molecular phenotype and biochemical state of biological systems.

39.6K

Publications

2.1M

Citations

160.8K

Authors

13.4K

Institutions

Publications per year

2017–2026

23.4K

Parents

BiochemistryBioinformaticsChemical BiologyMolecular Medicine

Children

Amino Acid MetabolomicsCarbohydrate MetabolomicsClinical MetabolomicsFeature DetectionLipidomicsMass SpectrometryMass Spectrometry-based MetabolomicsMetabolite AnnotationMetabolite ExtractionMetabolite Identification

Publications

39.6K

DrugBank 5.0: a major update to the DrugBank database for 2018

David S. Wishart, Yannick Djoumbou-Feunang, An Chi Guo et al. · Nucleic Acids Research · 2017 · 8.8K citations · Full text

Medicine, Pharmacology, Drug Information +13

XCMS: Processing Mass Spectrometry Data for Metabolite Profiling Using Nonlinear Peak Alignment, Matching, and Identification

Colin A. Smith, Elizabeth J. Want, Grace O’Maille et al. · Analytical Chemistry · 2006 · 5.2K citations

Life Sciences, Biochemistry, Mass Spectrometric Analysis +16

MetaboAnalyst 5.0: narrowing the gap between raw spectra and functional insights

Zhiqiang Pang, Jasmine Chong, Guangyan Zhou et al. · Nucleic Acids Research · 2021 · 4.1K citations · Full text

Life Sciences, Biochemistry, Bioinformatics +17

Flavonoid antioxidants: chemistry, metabolism and structure-activity relationships

Kelly E Heim, Anthony R. Tagliaferro, Dennis J. Bobilya · The Journal of Nutritional Biochemistry · 2002 · 4.1K citations

Life Sciences, Biochemistry, Pharmacology +14

The Galaxy platform for accessible, reproducible and collaborative biomedical analyses: 2018 update

Enis Afgan, Dannon Baker, Bérénice Batut et al. · Nucleic Acids Research · 2018 · 3.9K citations · Full text

Life Sciences, Bioinformatics, Biomedical Sciences +7

1–5 of 39.6K

Authors

160.8K

JK
Jeremy K. Nicholson
Imperial College London, United Kingdom
222 publications · 28.9K citations
87
h-index
OF
Oliver Fiehn
University of California, Davis, United States
193 publications · 33.6K citations
86
h-index
EH
Elaine Holmes
Imperial College London, United Kingdom
183 publications · 24.6K citations
79
h-index
DS
David S. Wishart
University of Alberta, Canada
149 publications · 59.5K citations
72
h-index
GX
Guowang Xu
Dalian Institute of Chemical Physics, China
182 publications · 15.2K citations
69
h-index

1–5 of 160.8K

Institutions

13.4K

1–8 of 13.4K

Venues

Analytical Chemistry
990 publications · 95.3K citations
139
h-index
PLoS ONE
910 publications · 55.5K citations
110
h-index
Journal of Proteome Research
JPR · 765 publications · 50.2K citations
108
h-index
Metabolomics
970 publications · 57.1K citations
104
h-index
Scientific Reports
1.2K publications · 59.8K citations
102
h-index

1–5

See also Metabolomics
Core Methods	Mass Spectrometry Magnetic Resonance Spectroscopy Gas Chromatography-mass Spectrometry Ion Mobility Spectrometry Liquid Chromatography-mass Spectrometry Untargeted Metabolomics Metabolite Identification Solid-phase Extraction Targeted Metabolomics Capillary Electrophoresis-mass Spectrometry Liquid-liquid Extraction Spectral Library Matching
Applications	Biomarker Discovery Drug Development Personalized Nutrition Environmental Monitoring Precision Medicine Disease Diagnosis Plant Phenotyping Antibiotic Discovery Pharmacometabolomics Plant Biotechnology
Data Analysis	Principal Component Analysis Pathway Analysis Enrichment Analysis Multivariate Statistics Independent Component Analysis Network Visualization Support Vector Machines Data Normalization Self-organizing Maps Multi-omics Integration Autoencoders Convolutional Neural Networks Partial Least Squares Discriminant Analysis Hierarchical Clustering K-nearest Neighbors Variance Analysis T-test Xgboost Gene Co-expression Network Analysis Missing Value Imputation
Platforms	Mass Spectrometry Magnetic Resonance Spectroscopy Gas Chromatography-mass Spectrometry Ion Mobility Spectrometry Liquid Chromatography-mass Spectrometry Untargeted Metabolomics Capillary Electrophoresis-mass Spectrometry Multiple Reaction Monitoring Matrix-assisted Laser Desorption/ionization Mass Spectrometric Imaging Fourier Transform Ion Cyclotron Resonance Mass Spectrometry Ultra-performance Liquid Chromatography Method Development Disease Metabolite Profiling
Challenges	Dynamic Range Ion Suppression Molecular Heterogeneity Model Interpretability Metabolite Annotation Standards Analysis Of Biological Variability Sensor Drift Overfitting