An Integrated Computational Platform for Metabolomics Data Analysis
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The field of metabolomics, one of the omics technologies that have recently revolutionized biological research, provides multiple challenges for data analysis, that have been addressed by several computational tools. However, none addresses the multiplicity of existing techniques and data analysis tasks. Here, we propose a novel R package that provides a set of functions for metabolomics data analysis, including data loading in different formats, pre-processing, univariate and multivariate data analysis, machine learning and feature selection. The package supports the analysis of data from the main experimental techniques, integrating a large set of functions from several R packages in a powerful, yet simple to use environment, promoting the rapid development and sharing of data analysis pipelines.
KeywordMetabolomics R NMR MS IR UV-vis package data analysis
The work is partially funded by Project 23060, PEM - Technological Support Platform for Metabolic Engineering, co- funded by FEDER through Portuguese QREN under the scope of the Technological Research and Development Incentive system, North Operational and by Project PropMine, funded by the agreement between Portuguese FCT and Brazilian CNPq.
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