Predicting the network of substrate-enzyme-product triads by combining compound similarity and functional domain composition.

ABSTRACT:

Background

Metabolic pathway is a highly regulated network consisting of many metabolic reactions involving substrates, enzymes, and products, where substrates can be transformed into products with particular catalytic enzymes. Since experimental determination of the network of substrate-enzyme-product triad (whether the substrate can be transformed into the product with a given enzyme) is both time-consuming and expensive, it would be very useful to develop a computational approach for predicting the network of substrate-enzyme-product triads.

Results

A mathematical model for predicting the network of substrate-enzyme-product triads was developed. Meanwhile, a benchmark dataset was constructed that contains 744,192 substrate-enzyme-product triads, of which 14,592 are networ

SUBMITTER: Chen L 

PROVIDER: S-EPMC3098070 | biostudies-literature | 2010 May

REPOSITORIES: biostudies-literature