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  4. Statistical Recoupling Prior to Significance Testing in Nuclear Magnetic Resonance Based Metabonomics
 
research article

Statistical Recoupling Prior to Significance Testing in Nuclear Magnetic Resonance Based Metabonomics

Blaise, Benjamin J.
•
Shintu, Laetitia
•
Elena, Benedicte
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2009
Analytical Chemistry

Significance testing is a crucial step in metabolic biomarker recovery from the metabolome-wide latent variables computed by multivariate statistical analysis. In this study we propose an algorithm based on the landscape of the covariance/correlation ratio of consecutive variables along the chemical shift axis to restore, prior to significance testing, the spectral dependency and recouple variables in clusters which correspond to physical, chemical, and biological entities: statistical recoupling of variables (SRV). Variables are associated into a series of clusters, which are then considered as individual objects for the control of the false discovery rate. Compared to classical procedures, it is found that SRV allows efficient recovery of statistically significant metabolic variables. The proposed SRV method when associated with the Benjamini-Yekutieli correction retains a low level of significant variables in the noise areas of the nuclear magnetic resonance (NMR) spectrum, close to that observed using the conservative Bonferroni correction (false positive rate), while also allowing successful identification of statistically significant metabolic NMR signals in cases where the classical procedures of Benjamini-Yekutieli and Benjamini-Hochberg (false discovery rate) fail. This procedure improves the interpretability of latent variables for metabolic biomarker recovery.

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Type
research article
DOI
10.1021/ac9007754
Web of Science ID

WOS:000268455600037

Author(s)
Blaise, Benjamin J.
Shintu, Laetitia
Elena, Benedicte
Emsley, Lyndon  
Dumas, Marc-Emmanuel
Toulhoat, Pierre
Date Issued

2009

Publisher

AMER CHEMICAL SOC

Published in
Analytical Chemistry
Volume

81

Issue

15

Start page

6242

End page

6251

Editorial or Peer reviewed

REVIEWED

Written at

OTHER

EPFL units
LRM  
Available on Infoscience
January 8, 2015
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/110036
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