SCN-MLTPP: A Multi-Label Classifier for Predicting Therapeutic Properties of Peptides Using the Stacked Capsule Network.

Abstract

Identifying the function of therapeutic peptides is an important issue in the development of novel drugs. To reduce the time and labor costs required to identify therapeutic peptides, computational methods are increasingly required. However, most of the existing peptide therapeutic function prediction models are used for predicting a single therapeutic function, ignoring the fact that a bioactive peptide might simultaneously consist of multi-activities. Furthermore, in the few existing multi-label classification models, the feature extraction procedures are still rough. We propose a multi-label framework, called SCN-MLTPP, with a stacked capsule network for predicting the therapeutic properties of peptides. Instead of using peptide sequence vectors alone, SCN-MLTPP extracts different view representation vectors from the therapeutic peptides and learns the contributions of different views to the properties of therapeutic peptides based on the dynamic routing mechanism. Benchmarking results show that as compared with existing multi-label predictors, SCN-MLTPP achieves better and more robust performance for different peptides. In addition, some visual analyses and case studies also demonstrate the model can reliably capture features from multi-view data and predict different peptides.