pJRES Binning Algorithm (JBA): a new method to facilitate the recovery of metabolic information from pJRES 1H NMR spectra
1 June 2019
Andrea Rodriguez-Martinez, Rafael Ayala, Joram M. Posma, Nikita Harvey, Beatriz Jiménez, Kazuhiro Sonomura, Taka-Aki Sato, Fumihiko Matsuda, Pierre Zalloua, Dominique Gauguier, Jeremy K. Nicholson and Marc-Emmanuel Dumas
Motivation Data processing is a key bottleneck for 1H NMR-based metabolic profiling of complex biological mixtures, such as biofluids. These spectra typically contain several thousands of signals, corresponding to possibly few hundreds of metabolites. A number of binning-based methods have been proposed to reduce the dimensionality of 1 D 1H NMR datasets, including statistical recoupling of variables (SRV). Here, we introduce a new binning method, named JBA (“pJRES Binning Algorithm”), which aims to extend the applicability of SRV to pJRES spectra.
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