Dataset Information

WebSpecmine: A Website for Metabolomics Data Analysis and Mining.

ABSTRACT: 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.

SUBMITTER: Cardoso S

PROVIDER: S-EPMC6835413 | biostudies-literature | 2019 Oct

REPOSITORIES: biostudies-literature

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Publications

WebSpecmine: A Website for Metabolomics Data Analysis and Mining.

Cardoso Sara S Afonso Telma T Maraschin Marcelo M Rocha Miguel M

Metabolites 20191019 10

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 <i>WebSpecmine</i> to overcome the aforementioned limitations. <i>WebSpecmine</i> 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) a ...[more]

PMID: 31635085

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Dataset Information

WebSpecmine: A Website for Metabolomics Data Analysis and Mining.

Publications

WebSpecmine: A Website for Metabolomics Data Analysis and Mining.

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