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Scientific workflow managers in metabolomics: an overview

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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.

Graphical abstract: Scientific workflow managers in metabolomics: an overview

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Article information


Submitted
07 Feb 2020
Accepted
28 Apr 2020
First published
28 Apr 2020

Analyst, 2020, Advance Article
Article type
Critical Review

Scientific workflow managers in metabolomics: an overview

A. Verhoeven, M. Giera and O. A. Mayboroda, Analyst, 2020, Advance Article , DOI: 10.1039/D0AN00272K

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