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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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| 出版年: | Metabolomics |
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| 主要な著者: | , , |
| フォーマット: | Artigo |
| 言語: | Inglês |
| 出版事項: |
Springer US
2018
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| 主題: | |
| オンライン･アクセス: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5869879/ https://ncbi.nlm.nih.gov/pubmed/29606928 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s11306-018-1351-y |
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