2021
DOI: 10.3389/fcimb.2021.734416
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Improved Metabolite Prediction Using Microbiome Data-Based Elastic Net Models

Abstract: Microbiome data are becoming increasingly available in large health cohorts, yet metabolomics data are still scant. While many studies generate microbiome data, they lack matched metabolomics data or have considerable missing proportions of metabolites. Since metabolomics is key to understanding microbial and general biological activities, the possibility of imputing individual metabolites or inferring metabolomics pathways from microbial taxonomy or metagenomics is intriguing. Importantly, current metabolomic… Show more

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Cited by 8 publications
(5 citation statements)
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References 27 publications
(43 reference statements)
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“…A further limitation to fully characterize the small intestinal ecology from a functional perspective is the lack of metabolomic data, matching microbiome results in large cohort studies. To fill this gap, metabolite prediction methods have been developed to predict individual metabolites solely based on microbiome metagenomic or amplicon sequencing data (Langille et al 2013 , Xie et al 2021 ). In silico simulations, coupled with in vitro and in vivo data can contribute to mechanistically describe physiological and metabolic process, such as prediction of the glycemic index of biscuits using chicken duodenum (Priyadarshini et al 2021 ), characterization of the precipitation kinetics of drugs, and the prediction of their concentration in small intestine after human oral administration (Hens et al 2014 , Kambayashi et al 2016 ).…”
Section: Future Perspectivesmentioning
confidence: 99%
“…A further limitation to fully characterize the small intestinal ecology from a functional perspective is the lack of metabolomic data, matching microbiome results in large cohort studies. To fill this gap, metabolite prediction methods have been developed to predict individual metabolites solely based on microbiome metagenomic or amplicon sequencing data (Langille et al 2013 , Xie et al 2021 ). In silico simulations, coupled with in vitro and in vivo data can contribute to mechanistically describe physiological and metabolic process, such as prediction of the glycemic index of biscuits using chicken duodenum (Priyadarshini et al 2021 ), characterization of the precipitation kinetics of drugs, and the prediction of their concentration in small intestine after human oral administration (Hens et al 2014 , Kambayashi et al 2016 ).…”
Section: Future Perspectivesmentioning
confidence: 99%
“…Many metabolites produced by gut microbiota are closely related to health ( Lu et al., 2021 ; Zhong et al., 2021 ; Xie et al., 2021 ). Short-chain fatty acids (SCFAs), as the main products of gut microbiota, have been found to change in many diseases such as cardiovascular disease and autism ( Chambers et al., 2018 ; Tran and Mohajeri, 2021 ).…”
Section: Introductionmentioning
confidence: 99%
“…A total of 503 named metabolites were identified through peak identification, QC, and correction for day-dependent technical variations [ 16 ]. Procedures and descriptions of the obtained metabolite data have been previously reported in detail [ 17 , 29 ].…”
Section: Methodsmentioning
confidence: 99%