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Scientific workflow managers in metabolomics: an overview

The Analyst, vol. 145, pp. 3801–3808

Abstract

Providing maximum information on the provenance of scientific results in life sciences is getting considerable attention since the widely publicized reproducibility crisis. Improving the reproducibility of data processing and analysis workflows is part of this movement and may help achieve clinical deployment quicker. Scientific workflow managers can be valuable tools towards achieving this goal. Although these platforms are already well established in the field of genomics and other omics fields, in metabolomics scripts and dedicated software packages are still more popular. However, versatile workflows for metabolomics exist in the KNIME and Galaxy platforms. We will here summarize the available options of scientific workflow managers dedicated to metabolomics analysis.

Authors 3

  1. Leiden University Medical Center

    Affiliation as printed

    Center for Proteomics and Metabolomics

    Leiden

    Leiden University Medical Center

    The Netherlands

    Center for Proteomics and Metabolomics, Leiden University Medical Center, Albinusdreef 2, Leiden, The Netherlands

  2. Leiden University Medical Center

    Affiliation as printed

    Center for Proteomics and Metabolomics

    Leiden

    Leiden University Medical Center

    The Netherlands

    Center for Proteomics and Metabolomics, Leiden University Medical Center, Albinusdreef 2, Leiden, The Netherlands

  3. Leiden University Medical Center

    Affiliation as printed

    Center for Proteomics and Metabolomics

    Leiden

    Leiden University Medical Center

    The Netherlands

    Center for Proteomics and Metabolomics, Leiden University Medical Center, Albinusdreef 2, Leiden, The Netherlands

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References 51