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Alpsnmr: an r package for signal processing of fully untargeted nmr-based metabolomics

# metadata.dc.description.abstract[].value
Nuclear magnetic resonance (NMR)-based metabolomics is widely used to obtain metabolic fingerprints of biological systems. While targeted workflows require previous knowledge of metabolites, prior to statistical analysis, untargeted approaches remain a challenge. Computational tools dealing with fully untargeted NMR-based metabolomics are still scarce or not user-friendly. Therefore, we developed AlpsNMR (Automated spectraL Processing System for NMR), an R package that provides automated and efficient signal processing for untargeted NMR metabolomics. AlpsNMR includes spectra loading, metadata handling, automated outlier detection, spectra alignment and peak-picking, integration and normalization. The resulting output can be used for further statistical analysis. AlpsNMR proved effective in detecting metabolite changes in a test case. The tool allows less experienced users to easily implement this workflow from spectra to a ready-to-use dataset in their routines.

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(c) Madrid Gambín, Francisco Javier et al., 2020

# metadata.dc.source[].value
Articles publicats en revistes (Enginyeria Electrònica i Biomèdica)

# metadata.dc.title[].value
Alpsnmr: an r package for signal processing of fully untargeted nmr-based metabolomics