Prediction of Interaction Between Enzymes and Small Molecules in Metabolic Pathways Through Integrating Multiple Classifiers

Abstract

Information about interactions between enzymes and small molecules is important for understanding various metabolic bioprocesses. In this article we applied a majority voting system to predict the interactions between enzymes and small molecules in the metabolic pathways, by combining several classifiers including AdaBoost, Bagging and KNN together. The advantage of such a strategy is based on the principle that a predictor based majority voting systems usually provide more reliable results than any single classifier. The prediction accuracies thus obtained on a training dataset and an independent testing dataset were 82.8% and 84.8%, respectively. The prediction accuracy for the networking couples in the independent testing dataset was 75.5%, which is about 4% higher than that reported in a previous study. The web-server for the prediction method presented in this paper is available at http://chemdata.shu.edu.cn/small-enz.