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MetaboAnalyst: a web server for metabolomic data analysis and interpretation

2009· article· en· 2,320 citations· W1982185581 on OpenAlex· 10.1093/nar/gkp356

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Opus teacher head0.050
GPT teacher head0.373
Teacher spread
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Validation status
score_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it

Abstract

Metabolomics is a newly emerging field of 'omics' research that is concerned with characterizing large numbers of metabolites using NMR, chromatography and mass spectrometry. It is frequently used in biomarker identification and the metabolic profiling of cells, tissues or organisms. The data processing challenges in metabolomics are quite unique and often require specialized (or expensive) data analysis software and a detailed knowledge of cheminformatics, bioinformatics and statistics. In an effort to simplify metabolomic data analysis while at the same time improving user accessibility, we have developed a freely accessible, easy-to-use web server for metabolomic data analysis called MetaboAnalyst. Fundamentally, MetaboAnalyst is a web-based metabolomic data processing tool not unlike many of today's web-based microarray analysis packages. It accepts a variety of input data (NMR peak lists, binned spectra, MS peak lists, compound/concentration data) in a wide variety of formats. It also offers a number of options for metabolomic data processing, data normalization, multivariate statistical analysis, graphing, metabolite identification and pathway mapping. In particular, MetaboAnalyst supports such techniques as: fold change analysis, t-tests, PCA, PLS-DA, hierarchical clustering and a number of more sophisticated statistical or machine learning methods. It also employs a large library of reference spectra to facilitate compound identification from most kinds of input spectra. MetaboAnalyst guides users through a step-by-step analysis pipeline using a variety of menus, information hyperlinks and check boxes. Upon completion, the server generates a detailed report describing each method used, embedded with graphical and tabular outputs. MetaboAnalyst is capable of handling most kinds of metabolomic data and was designed to perform most of the common kinds of metabolomic data analyses. MetaboAnalyst is accessible at http://www.metaboanalyst.ca.

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The record

Venue
Nucleic Acids Research
Topic
Metabolomics and Mass Spectrometry Studies
Field
Biochemistry, Genetics and Molecular Biology
Canadian institutions
National Institute for NanotechnologyUniversity of Alberta
Funders
Canadian Institutes of Health ResearchGenome AlbertaGenome Canada
Keywords
MetabolomicsComputer scienceIdentification (biology)Profiling (computer programming)Data pre-processingWeb serverDatabase normalizationData miningBioinformaticsCluster analysisBiologyArtificial intelligenceThe InternetWorld Wide Web
Has abstract in OpenAlex
yes