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    RMet: An automated R based software for analyzing GC-MS and GC×GC-MS untargeted metabolomic data

    , Article Chemometrics and Intelligent Laboratory Systems ; Volume 194 , 2019 ; 01697439 (ISSN) Moayedpour, S ; Parastar, H ; Sharif University of Technology
    Elsevier B.V  2019
    Abstract
    Gas chromatography-mass spectrometry (GC-MS) and comprehensive two-dimensional gas chromatography-mass spectrometry (GC×GC-MS) are powerful techniques for measurement of all metabolites in complex metabolic samples. However, analyzing GC-MS and especially GC×GC-MS metabolomic data is a major challenge to the researchers in the field of metabolomics mainly due to the complexity and large data size. In this regard, an automated R based software entitled RMet has been developed to overcome the challenges in the metabolomic analysis workflow of GC-MS and GC×GC-MS data sets. Additionally, it is able to facilitate the complex process of extracting reliable and useful biological information from...