Open Access. Powered by Scholars. Published by Universities.®
Biochemistry, Biophysics, and Structural Biology Commons™
Open Access. Powered by Scholars. Published by Universities.®
Articles 1 - 1 of 1
Full-Text Articles in Biochemistry, Biophysics, and Structural Biology
Hierarchical Harmonization Of Atom-Resolved Metabolic Reactions Across Metabolic Databases, Huan Jin, Hunter N. B. Moseley
Hierarchical Harmonization Of Atom-Resolved Metabolic Reactions Across Metabolic Databases, Huan Jin, Hunter N. B. Moseley
Molecular and Cellular Biochemistry Faculty Publications
Metabolic models have been proven to be useful tools in system biology and have been successfully applied to various research fields in a wide range of organisms. A relatively complete metabolic network is a prerequisite for deriving reliable metabolic models. The first step in constructing metabolic network is to harmonize compounds and reactions across different metabolic databases. However, effectively integrating data from various sources still remains a big challenge. Incomplete and inconsistent atomistic details in compound representations across databases is a very important limiting factor. Here, we optimized a subgraph isomorphism detection algorithm to validate generic compound pairs. Moreover, we …