Increasing Rigor in NMR-based Metabolomics Through Validated and Open Source Tools

Overview

Journal Curr Opin Biotechnol

Publisher Elsevier

Specialty Biotechnology

Date 2016 Sep 20

PMID 27643760

Citations 12

Authors

Hamid R Eghbalnia

Pedro R Romero

William M Westler

Kumaran Baskaran

Eldon L Ulrich

John L Markley

Affiliations

Soon will be listed here.

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.

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