Please use this identifier to cite or link to this item: http://hdl.handle.net/1822/61824

TitleWebSpecmine: a website for metabolomics data analysis and mining
Author(s)Cardoso, Sara
Afonso, T.
Maraschin, Marcelo
Rocha, Miguel
Keywordsmetabolomics
statistical analysis
data mining
metabolite identification
pathway analysis
open-source software
Issue date10-Oct-2019
PublisherMDPI AG
JournalMetabolites
CitationCardoso, Sara; Afonso, T.; Maraschin, Marcelo; Rocha, Miguel, WebSpecmine: a website for metabolomics data analysis and mining. Metabolites, 9(10), 237, 2019
Abstract(s)Metabolomics data analysis is an important task in biomedical research. The available tools do not provide a wide variety of methods and data types, nor ways to store and share data and results generated. Thus, we have developed WebSpecmine to overcome the aforementioned limitations. WebSpecmine is a web-based application designed to perform the analysis of metabolomics data based on spectroscopic and chromatographic techniques (NMR, Infrared, UV-visible, and Raman, and LC/GC-MS) and compound concentrations. Users, even those not possessing programming skills, can access several analysis methods including univariate, unsupervised and supervised multivariate statistical analysis, as well as metabolite identification and pathway analysis, also being able to create accounts to store their data and results, either privately or publicly. The tool’s implementation is based in the R project, including its shiny web-based framework. Webspecmine is freely available, supporting all major browsers. We provide abundant documentation, including tutorials and a user guide with case studies.
TypeArticle
URIhttp://hdl.handle.net/1822/61824
DOI10.3390/metabo9100237
e-ISSN2218-1989
Publisher versionhttp://www.mdpi.com/journal/metabolites
Peer-Reviewedyes
AccessOpen access
Appears in Collections:CEB - Publicações em Revistas/Séries Internacionais / Publications in International Journals/Series

Files in This Item:
File Description SizeFormat 
document_52128_1.pdf343,7 kBAdobe PDFView/Open

This item is licensed under a Creative Commons License Creative Commons

Partilhe no FacebookPartilhe no TwitterPartilhe no DeliciousPartilhe no LinkedInPartilhe no DiggAdicionar ao Google BookmarksPartilhe no MySpacePartilhe no Orkut
Exporte no formato BibTex mendeley Exporte no formato Endnote Adicione ao seu ORCID