Jump to main content
Jump to site search

All chapters
Previous chapter Next chapter

CHAPTER 12

Advances in Computational Analysis of Metabolomic NMR Data

In this chapter we discuss some of the more recent developments in preprocessing and statistical analysis of NMR spectra in metabolomics. Bayesian methods for analyzing NMR spectra are summarized and we describe one particular approach, BATMAN, in more detail. We consider techniques based on statistical associations, such as correlation spectroscopy (e.g. STOCSY and recent variants), as well as approaches that model the associations as a network and how these change under different biological conditions. The link between metabolism and genotype is explored by looking at metabolic GWAS and related techniques. Finally, we describe the relevance and current status of data standards for NMR metabolomics.

Publication details


Print publication date
17 Jan 2018
Copyright year
2018
Print ISBN
978-1-84973-643-5
PDF eISBN
978-1-78262-793-7
ePub eISBN
978-1-78801-397-0
From the book series:
New Developments in NMR