Tool from the App Library – BATMAN

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BATMAN: Bayesian deconvolution and quantification of metabolites in complex 1D NMR spectra

Bayesian automated metabolite analyzer for NMR (BATMAN) is an open source R-package for estimation of concentration of metabolites from Nuclear Magnetic Resonance spectral data. The software uses a Bayesian model of 1D NMR spectra to automatically deconvolve and quantify metabolites in complex mixtures. The Bayesian model uses existing information on the characteristic spectral pattern of each metabolite, allowing it to recognize overlapped signals while taking account of shifting peaks.  These characteristic features, templates,  for the catalogued  metabolites are derived from Human Metabolome Database (HMDB) but can also be edited and extended by the user.

BATMAN was first released in 2012 and is currently running version 1.2. The tool  is available on the PhenoMeNal Galaxy instance. For information on the code see:

Reference: Hao, J., et al., BATMAN: An R package for the automated quantification of metabolites from nuclear magnetic resonance spectra using a Bayesian model. Bioinformatics, 2012. 28 (15): pp 2088-90.

To find out more on BATMAN and its scaling for analysis of big datasets, listen to the talk by Tim Ebbels on Metabolomics in the Cloud: Scaling Computational Tools to Big Data at MetaboMeeting 2017.

Figure: PhenoMeNal App Library showcases tools available via Galaxy

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