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Updated: Aug 6, 2026

Identification and Quantification of Deranged Metabolites in Critically Ill Patients Using NMR-Based Metabolomics
Published on: November 29, 2024
A nutritionally informed model for Bayesian variable selection with metabolite response variables
Dylan Clark-Boucher1,2, Brent A Coull2, Harrison T Reeder3
1Department of Real World Statistics, Vertex Pharmaceuticals, 50 Northern Avenue, Boston, MA 02210, United States.
Abstract:
Understanding the pathways through which diet affects human metabolism is a central task in nutritional epidemiology. This article proposes novel methodology to identify food items associated with blood metabolites in 2 cohorts of healthcare professionals. We analyze 244 metabolites characterized by statistical complexities that include skewness, left-censoring, and structural missingness. Though existing methods can address such factors in low-dimensional settings, they cannot exploit the nutritional or statistical relationships among the 30 considered food intake variables, and they are unsuitable for performing high-dimensional inference. To address these challenges, we develop a novel Bayesian variable selection framework for metabolite response variables based on a skew-normal censored mixture model, while exploiting substantive information on the considered food items via a Markov random field prior. Applying this methodology to the cohort data identifies multiple metabolite-diet associations that are consistent with previous research as well as several potentially novel associations that were not detected using standard methods. The proposed approach is implemented in the R package multimetab, facilitating its use in high-dimensional metabolomic analyses.
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