ACP-CapsPred: an explainable computational framework for identification and functional prediction of anticancer peptides based on capsule network

作者：Lantian Yao, Peilin Xie, Jiahui Guan, Chia‐Ru Chung, Wenyang Zhang, Junyang Deng, Yixian Huang, Ying‐Chih Chiang, Tzong-Yi Lee · 发表于：Briefings in Bioinformatics · 年份：2024 · DOI：10.1093/bib/bbae460 · 被引用次数：23 · 研究领域：Machine Learning in Bioinformatics、Computational Drug Discovery Methods、Chemical Synthesis and Analysis

Cancer is a severe illness that significantly threatens human life and health. Anticancer peptides (ACPs) represent a promising therapeutic strategy for combating cancer. In silico methods enable rapid and accurate identification of ACPs without extensive human and material resources. This study proposes a two-stage computational framework called ACP-CapsPred, which can accurately identify ACPs and characterize their functional activities across different cancer types. ACP-CapsPred integrates a protein language model with evolutionary information and physicochemical properties of peptides, constructing a comprehensive profile of peptides. ACP-CapsPred employs a next-generation neural network, specifically capsule networks, to construct predictive models. Experimental results demonstrate that ACP-CapsPred exhibits satisfactory predictive capabilities in both stages, reaching state-of-the-art performance. In the first stage, ACP-CapsPred achieves accuracies of 80.25% and 95.71%, as well as F1-scores of 79.86% and 95.90%, on benchmark datasets Set 1 and Set 2, respectively. In the second stage, tasked with characterizing the functional activities of ACPs across five selected cancer types, ACP-CapsPred attains an average accuracy of 90.75% and an F1-score of 91.38%. Furthermore, ACP-CapsPred demonstrates excellent interpretability, revealing regions and residues associated with anticancer activity. Consequently, ACP-CapsPred presents a promising solution to expedite the developme...