Abstract

As many diseases like high cholesterol are referred to lipid metabolism, studying the lipid metabolic pathway has a positive effect on finding the knowledge about interactions between different elements within high complex living systems. Here, we employed a typical ensemble learning method, Bagging learner, to study and predict the possible sub lipid metabolic pathway of small molecules based on physical and chemical features of the compounds. As a result, jackknife cross validation test and independent set test on the model reached 89.85% and 91.46%, respectively. Therefore, our predictor may be used for finding the new compounds which participate in lipid metabolic procedures.

Keywords: small molecules, metabolic pathway, lipid metabolism, KEGG, ensemble learning, Bagging, jackknife cross validation test, KNN, SVM, kernel function, CFS, TM, `Re-substitution test, Independent set test, ANN