Bayesian estimation of the number of protonation sites for urinary metabolites from NMR spectroscopic data

INTRODUCTION: To aid the development of better algorithms for [Formula: see text] H NMR data analysis, such as alignment or peak-fitting, it is important to characterise and model chemical shift changes caused by variation in pH. The number of protonation sites, a key parameter in the theoretical re...

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Detalles Bibliográficos
Autores principales: Ye, Lifeng, De Iorio, Maria, Ebbels, Timothy M. D.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer US 2018
Materias:
Original Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5869879/
https://www.ncbi.nlm.nih.gov/pubmed/29606928
http://dx.doi.org/10.1007/s11306-018-1351-y

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5869879/
https://www.ncbi.nlm.nih.gov/pubmed/29606928
http://dx.doi.org/10.1007/s11306-018-1351-y

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