WebSpecmine: A Website for Metabolomics Data Analysis and Mining

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 limitatio...

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Bibliographic Details
Main Authors: Sara Cardoso, Telma Afonso, Marcelo Maraschin, Miguel Rocha
Format: Article
Language:English
Published: MDPI AG 2019-10-01
Series:Metabolites
Subjects:
Online Access:https://www.mdpi.com/2218-1989/9/10/237
Description
Summary: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) 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&#8217;s implementation is based in the R project, including its shiny web-based framework. <i>Webspecmine</i> is freely available, supporting all major browsers. We provide abundant documentation, including tutorials and a user guide with case studies.
ISSN:2218-1989