肽
支持向量机
计算机科学
氨基酸
药品
Web服务器
计算生物学
随机森林
组合化学
化学
药理学
人工智能
生物化学
生物
互联网
万维网
作者
Deling Xu,Yanyan Wu,Zhixing Cheng,Jing Yang,Yanrui Ding
标识
DOI:10.1007/s10989-021-10222-y
摘要
Peptide drugs are generally compounds with 2–50 amino acids connected by peptide bonds and having drug effects. Because of their unique advantages such as significant activity, strong specificity, and low toxicity, some of them are applied in the treatment of various diseases. The design and development of new peptide drugs have broad prospects, and determining the molecular characteristics of disease-related peptide drugs is the key to drug design. This research takes anti-cancer peptides and anti-hypertensive peptides as the research objects, and we propose a novel method of describing peptide drugs, making use of the topological attribute values in an amino acid interaction network to represent the characteristics of peptides. In addition, peptide drugs are described from different perspectives by combining the information of the primary, secondary and tertiary structures. Three algorithms including support vector machine (SVM), K-nearest neighbor (KNN) and random forest (RF) are utilized to train the model. Then the support vector machine based on recursive feature elimination method (SVM-RFE) removes redundant features and identifies the key characteristics of different types of drugs. The added network features can more comprehensively describe peptide drugs, providing a theoretical basis for the analysis and design of new peptide drugs. The web sever of ACHP is freely available at http://118.178.58.31:9801/ .
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