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New software tools, databases, and resources in metabolomics: updates from 2020.

Biswapriya B Misra1

  • 1Enveda Biosciences, Inc., Boulder, CO, 80301, USA. biswa.misra@envedabio.com.

Metabolomics : Official Journal of the Metabolomic Society
|May 12, 2021
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Summary

This review introduces ~85 new metabolomics software resources from 2020. These tools aid researchers in analyzing complex biological data for advancements in precision medicine and drug discovery.

Keywords:
AnnotationDatabaseIn silicoMetaboliteMetabolomicsProgramRecourseSoftwareTool

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Area of Science:

  • Metabolomics
  • Bioinformatics
  • Computational Biology

Background:

  • Metabolomics plays a crucial role in diverse fields including precision medicine, space exploration, and drug discovery.
  • Advances in mass spectrometry and spectroscopy generate complex, big-data datasets requiring sophisticated data analytics.
  • Software tools and databases are essential for extracting valuable information from metabolomics data for translational research.

Purpose of the Study:

  • To introduce approximately 85 metabolomics software resources, packages, tools, databases, and utilities published in 2020.
  • To provide a consolidated resource for the metabolomics research community, updating efforts from 2015 onwards.
  • To facilitate the discovery and utilization of new computational tools for metabolomics data analysis.

Main Methods:

  • Review and compilation of metabolomics software resources published in 2020.
  • Categorization of resources based on their utility.
  • Provision of computational dependencies and download links for each tool.

Main Results:

  • Introduction of ~85 novel metabolomics software resources from 2020.
  • Categorization of these resources to aid researchers in selecting appropriate tools.
  • Detailed information including computational dependencies and links provided for each resource.

Conclusions:

  • The review serves as a vital, up-to-date compendium of metabolomics software for researchers.
  • Facilitates the application of new computational tools to advance metabolomics research.
  • Supports the ongoing development and application of metabolomics in various scientific disciplines.