Increasing rigor in NMR-based metabolomics through validated and open source tools.

Abstract:

:The metabolome, the collection of small molecules associated with an organism, is a growing subject of inquiry, with the data utilized for data-intensive systems biology, disease diagnostics, biomarker discovery, and the broader characterization of small molecules in mixtures. Owing to their close proximity to the functional endpoints that govern an organism's phenotype, metabolites are highly informative about functional states. The field of metabolomics identifies and quantifies endogenous and exogenous metabolites in biological samples. Information acquired from nuclear magnetic spectroscopy (NMR), mass spectrometry (MS), and the published literature, as processed by statistical approaches, are driving increasingly wider applications of metabolomics. This review focuses on the role of databases and software tools in advancing the rigor, robustness, reproducibility, and validation of metabolomics studies.

journal_name

Curr Opin Biotechnol

authors

Eghbalnia HR,Romero PR,Westler WM,Baskaran K,Ulrich EL,Markley JL

doi

10.1016/j.copbio.2016.08.005

subject

Has Abstract

pub_date

2017-02-01 00:00:00

pages

56-61

eissn

0958-1669

issn

1879-0429

pii

S0958-1669(16)30184-7

journal_volume

43

pub_type

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