Aug 062013
 

BQuant 1.0

:: DESCRIPTION

BQuant is an R package using a probabilistic approach for fully automated database-based identification and quantification of metabolites in local regions of 1H Nuclear Magnetic Resonance (NMR) spectra. The approach is based on a linear mixed model, which accounts for technological characteristics of NMR spectra, and represents the spectra as mixtures of reference profiles from a database. Identities and abundances of metabolites in the spectra are then inferred by Bayesian model selection, implemented in an efficient Gibbs sampling scheme.

::DEVELOPER

Laboratory for Statistical Proteomics and Bioinformatics , Purdue University

:: SCREENSHOTS

N/A

:: REQUIREMENTS

  • Linux/ MacOsX/ Windows
  • R package

:: DOWNLOAD

 BQuant

:: MORE INFORMATION

Citation

Bioinformatics. 2011 Jun 15;27(12):1637-44. doi: 10.1093/bioinformatics/btr118. Epub 2011 Mar 12.
Identification and quantification of metabolites in (1)H NMR spectra by Bayesian model selection.
Zheng C, Zhang S, Ragg S, Raftery D, Vitek O.

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