Hypertension-Related Drug Activity Identification Based on Novel Ensemble Method

Abstract

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Hypertension is a chronic disease and major risk factor for cardiovascular and cerebrovascular diseases that often leads to damage to target organs. The prevention and treatment of hypertension is crucially important for human health. In this paper, a novel ensemble method based on a flexible neural tree (FNT) is proposed to identify hypertension-related active compounds. In the ensemble method, the base classifiers are Multi-Grained Cascade Forest (gcForest), support vector machines (SVM), random forest (RF), AdaBoost, decision tree (DT), Gradient Boosting Decision Tree (GBDT), KNN, logical regression, and naïve Bayes (NB). The classification results of nine classifiers are utilized as the input vector of FNT, which is utilized as a nonlinear ensemble method to identify hypertension-related drug compounds. The experiment data are extracted from hypertension-unrelated and hypertension-related compounds collected from the up-to-date literature. The results reveal that our proposed ensemble method performs better than other single classifiers in terms of ROC curve, AUC, TPR, FRP, Precision, Specificity, and F1. Our proposed method is also compared with the averaged and voting ensemble methods. The results reveal that our method could identify hypertension-related compounds more accurately than two classical ensemble methods.

Keywords

• hypertension
• flexible neural tree
• ensemble
• network pharmacology
• machine learning