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2017 ; 13
(9
): 106
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Navigating freely-available software tools for metabolomics analysis
#MMPMID28890673
Spicer R
; Salek RM
; Moreno P
; Cañueto D
; Steinbeck C
Metabolomics
2017[]; 13
(9
): 106
PMID28890673
show ga
INTRODUCTION: The field of metabolomics has expanded greatly over the past two
decades, both as an experimental science with applications in many areas, as well
as in regards to data standards and bioinformatics software tools. The diversity
of experimental designs and instrumental technologies used for metabolomics has
led to the need for distinct data analysis methods and the development of many
software tools. OBJECTIVES: To compile a comprehensive list of the most widely
used freely available software and tools that are used primarily in metabolomics.
METHODS: The most widely used tools were selected for inclusion in the review by
either ? 50 citations on Web of Science (as of 08/09/16) or the use of the tool
being reported in the recent Metabolomics Society survey. Tools were then
categorised by the type of instrumental data (i.e. LC-MS, GC-MS or NMR) and the
functionality (i.e. pre- and post-processing, statistical analysis, workflow and
other functions) they are designed for. RESULTS: A comprehensive list of the most
used tools was compiled. Each tool is discussed within the context of its
application domain and in relation to comparable tools of the same domain. An
extended list including additional tools is available at
https://github.com/RASpicer/MetabolomicsTools which is classified and searchable
via a simple controlled vocabulary. CONCLUSION: This review presents the most
widely used tools for metabolomics analysis, categorised based on their main
functionality. As future work, we suggest a direct comparison of tools' abilities
to perform specific data analysis tasks e.g. peak picking.
free
free
free
