Reaction graph kernels predict EC numbers of unknown enzymatic reactions in plant secondary metabolism.

ABSTRACT:

Background

Understanding of secondary metabolic pathway in plant is essential for finding druggable candidate enzymes. However, there are many enzymes whose functions are not yet discovered in organism-specific metabolic pathways. Towards identifying the functions of those enzymes, assignment of EC numbers to the enzymatic reactions they catalyze plays a key role, since EC numbers represent the categorization of enzymes on one hand, and the categorization of enzymatic reactions on the other hand.

Results

We propose reaction graph kernels for automatically assigning EC numbers to unknown enzymatic reactions in a metabolic network. Reaction graph kernels compute similarity between two chemical reactions considering the similarity of chemical compounds in reaction and their rel

SUBMITTER: Saigo H 

PROVIDER: S-EPMC3009503 | biostudies-literature | 2010 Jan

REPOSITORIES: biostudies-literature