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TitleWebSpecmine: a website for metabolomics data analysis and mining
Author(s)Cardoso, Sara
Afonso, T.
Maraschin, Marcelo
Rocha, Miguel
statistical analysis
data mining
metabolite identification
pathway analysis
open-source software
Issue date10-Oct-2019
PublisherMDPI AG
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.
Publisher version
AccessOpen access
Appears in Collections:CEB - Publicações em Revistas/Séries Internacionais / Publications in International Journals/Series

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