Atom Identifiers Generated by a Neighborhood-Specific Graph Coloring Method Enable Compound Harmonization across Metabolic Databases

Metabolic flux analysis requires both a reliable metabolic model and reliable metabolic profiles in characterizing metabolic reprogramming. Advances in analytic methodologies enable production of high-quality metabolomics datasets capturing isotopic flux. However, useful metabolic models can be diff...

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Bibliographic Details

Published in:	Metabolites
Main Authors:	Huan Jin, Joshua M. Mitchell, Hunter N. B. Moseley
Format:	Article
Language:	English
Published:	MDPI AG 2020-09-01
Subjects:	metabolomics atom-resolved metabolic network atom identifier compound identifier database harmonization graph theory
Online Access:	https://www.mdpi.com/2218-1989/10/9/368