A knowledge driven mutual information-based analytical framework for the identification of rumen metabolites

Mengyuan Wang, Huiru Zheng, Haiying Wang, Richard J. Dewhurst, Rainer Roehe

Research output: Chapter in Book/Report/Conference proceedingConference contributionpeer-review

1 Citation (Scopus)

Abstract

Metabolites are the final product of biochemical reactions in the rumen micro-ecological system and very sensitive to changes of microbial genes. However, limited by the spectra library and the computational techniques of structure identification, the identification of metabolites from non-targeted metabolomics is time-consuming and inefficient. The absence of specific information about metabolites makes the biological interpretation of the quantitative analysis of metabolomics meaningless. Based on the nonlinear association between microbial genes and metabolites, combined with knowledge of metabolic pathways from the KEGG database, this study developed a knowledge driven mutual information-based analytical framework for identifying metabolites associated with integrals derived from NMR analysis results. In this study, one known metabolite and three sets of integrals with unknow metabolites were identified within the novel framework. The results showed that this mutual information-based framework could very efficiently target metabolites that may correspond to integrals from NMR spectra.

Original languageEnglish
Title of host publicationProceedings - 2019 IEEE International Conference on Bioinformatics and Biomedicine, BIBM 2019
EditorsIllhoi Yoo, Jinbo Bi, Xiaohua Tony Hu
PublisherInstitute of Electrical and Electronics Engineers Inc.
Pages255-260
Number of pages6
ISBN (Electronic)9781728118673
DOIs
Publication statusPrint publication - Nov 2019
Event2019 IEEE International Conference on Bioinformatics and Biomedicine, BIBM 2019 - San Diego, United States
Duration: 18 Nov 201921 Nov 2019

Publication series

NameProceedings - 2019 IEEE International Conference on Bioinformatics and Biomedicine, BIBM 2019

Conference

Conference2019 IEEE International Conference on Bioinformatics and Biomedicine, BIBM 2019
CountryUnited States
CitySan Diego
Period18/11/1921/11/19

Keywords

  • KEGG pathway
  • Metabolomics
  • Mutual information
  • NMR analysis
  • Rumen Microbe

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