Cargando…

MetaboAnalyst: a web server for metabolomic data analysis and interpretation

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 proces...

Descripción completa

Detalles Bibliográficos
Autores principales: Xia, Jianguo, Psychogios, Nick, Young, Nelson, Wishart, David S.
Formato: Texto
Lenguaje:English
Publicado: Oxford University Press 2009
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2703878/
https://www.ncbi.nlm.nih.gov/pubmed/19429898
http://dx.doi.org/10.1093/nar/gkp356
_version_ 1782168875721293824
author Xia, Jianguo
Psychogios, Nick
Young, Nelson
Wishart, David S.
author_facet Xia, Jianguo
Psychogios, Nick
Young, Nelson
Wishart, David S.
author_sort Xia, Jianguo
collection PubMed
description 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
format Text
id pubmed-2703878
institution National Center for Biotechnology Information
language English
publishDate 2009
publisher Oxford University Press
record_format MEDLINE/PubMed
spelling pubmed-27038782009-07-01 MetaboAnalyst: a web server for metabolomic data analysis and interpretation Xia, Jianguo Psychogios, Nick Young, Nelson Wishart, David S. Nucleic Acids Res Articles 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 Oxford University Press 2009-07-01 2009-05-08 /pmc/articles/PMC2703878/ /pubmed/19429898 http://dx.doi.org/10.1093/nar/gkp356 Text en © 2009 The Author(s) http://creativecommons.org/licenses/by-nc/2.0/uk/ This is an Open Access article distributed under the terms of the Creative Commons Attribution Non-Commercial License (http://creativecommons.org/licenses/by-nc/2.0/uk/) which permits unrestricted non-commercial use, distribution, and reproduction in any medium, provided the original work is properly cited.
spellingShingle Articles
Xia, Jianguo
Psychogios, Nick
Young, Nelson
Wishart, David S.
MetaboAnalyst: a web server for metabolomic data analysis and interpretation
title MetaboAnalyst: a web server for metabolomic data analysis and interpretation
title_full MetaboAnalyst: a web server for metabolomic data analysis and interpretation
title_fullStr MetaboAnalyst: a web server for metabolomic data analysis and interpretation
title_full_unstemmed MetaboAnalyst: a web server for metabolomic data analysis and interpretation
title_short MetaboAnalyst: a web server for metabolomic data analysis and interpretation
title_sort metaboanalyst: a web server for metabolomic data analysis and interpretation
topic Articles
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2703878/
https://www.ncbi.nlm.nih.gov/pubmed/19429898
http://dx.doi.org/10.1093/nar/gkp356
work_keys_str_mv AT xiajianguo metaboanalystawebserverformetabolomicdataanalysisandinterpretation
AT psychogiosnick metaboanalystawebserverformetabolomicdataanalysisandinterpretation
AT youngnelson metaboanalystawebserverformetabolomicdataanalysisandinterpretation
AT wishartdavids metaboanalystawebserverformetabolomicdataanalysisandinterpretation