Batman-an R package for the automated quantification of metabolites from nuclear magnetic resonance spectra using a bayesian model

Bioinformatics

Volumn 28, Issue 15, 2012, Pages 2088-2090

  Hao, Jie ^a   Astle, William ^b   De iorio, Maria ^c   Ebbels, Timothy M D ^a  

^a IMPERIAL COLLEGE LONDON   (United Kingdom)

^b MCGILL UNIVERSITY   (Canada)

^c UNIVERSITY COLLEGE LONDON   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHM; ARTICLE; BAYES THEOREM; BIOLOGY; COMPUTER PROGRAM; METABOLOMICS; METHODOLOGY; MONTE CARLO METHOD; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PROBABILITY;

ALGORITHMS; BAYES THEOREM; COMPUTATIONAL BIOLOGY; MAGNETIC RESONANCE SPECTROSCOPY; MARKOV CHAINS; METABOLOMICS; MONTE CARLO METHOD; SOFTWARE;

EID: 84865144924     PISSN: 13674803     EISSN: 14602059     Source Type: Journal    
DOI: 10.1093/bioinformatics/bts308     Document Type: Article

References (6)

1. Astle,W. et al. (2012) A Bayesian model of NMR spectra for the deconvolution and quantification of metabolites in complex biological mixtures. J. Am. Stat. Assoc., in press. The accepted version can be found at http://arxiv.org/abs/1105.2204
2. Mercier,P. et al. (2011) Towards automatic metabolomic profiling of high-resolution one-dimensional proton NMR spectra. J. Biomol. NMR., 49, 307-323.
3. Tredwell,G.D. et al. (2011) Between-Person comparison of metabolite fitting for NMRbased quantitative metabolomics. Anal. Chem., 83, 8683-8687.
4. Weljie,A.M. et al. (2006) Targeted profiling: quantitative analysis of 1H NMR metabolomics data. Anal. Chem., 78, 4430-4442.
5. Wishart,D.S. et al. (2009) HMDB: a knowledgebase for the human metabolome. Nucleic Acids Res., 37, D603-D610.
6. Zheng,C. et al. (2011) Identification and quantification of metabolites in 1H NMR spectra by Bayesian model selection. Bioinformatics, 27, 1637-1644.