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Navigating freely-available software tools for metabolomics analysis.

Rachel Spicer1, Reza M Salek1, Pablo Moreno1

  • 1European Molecular Biology Laboratory, European Bioinformatics Institute (EMBL-EBI), Wellcome Trust Genome Campus, Hinxton, Cambridge, CB10 1SD UK.

Metabolomics : Official Journal of the Metabolomic Society
|September 12, 2017
PubMed
Summary
This summary is machine-generated.

This review lists popular, free software for metabolomics analysis, aiding researchers in selecting appropriate bioinformatics tools. It categorizes tools by data type (LC-MS, GC-MS, NMR) and function for easier selection.

Keywords:
BioinformaticsData analysisFreely availableMetabolomicsSoftware

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Area of Science:

  • Metabolomics
  • Bioinformatics
  • Computational Biology

Background:

  • Metabolomics has grown significantly, necessitating standardized data analysis and bioinformatics tools.
  • Diverse experimental designs and technologies require specialized software for metabolomics data analysis.

Purpose of the Study:

  • To create a comprehensive catalog of widely utilized, freely accessible metabolomics software.
  • To assist researchers in navigating the landscape of available bioinformatics tools for metabolomics.

Main Methods:

  • Software selection based on high citation counts (≥50) or inclusion in Metabolomics Society surveys.
  • Categorization of tools by instrumental data type (LC-MS, GC-MS, NMR) and functionality (preprocessing, statistics, workflow).

Main Results:

  • A curated list of the most frequently used metabolomics software tools is presented.
  • Tools are discussed within their application domains, with comparisons to similar software.
  • An extended, searchable list of tools is available online.

Conclusions:

  • The review provides a categorized overview of essential metabolomics analysis tools.
  • Future work should involve direct comparisons of tool performance for specific tasks like peak picking.