DAHNGC:一个利用异构网络进行药物-疾病关联预测的图卷积模型。

IF 1.4 4区 生物学 Q4 BIOCHEMICAL RESEARCH METHODS Journal of Computational Biology Pub Date : 2023-09-01 Epub Date: 2023-09-13 DOI:10.1089/cmb.2023.0135
Jiancheng Zhong, Pan Cui, Yihong Zhu, Qiu Xiao, Zuohang Qu
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引用次数: 0

摘要

在药物开发和重新定位领域,预测药物与疾病的相关性是一项关键任务。最近提出的一种基于图卷积的药物-疾病关联预测方法在很大程度上依赖于同构网络内相邻节点的特征来表征信息。然而,该方法缺乏来自异构网络的节点属性信息,难以为预测药物-疾病关联提供有价值的见解。在本研究中,提出了一种新的基于图卷积神经网络的药物-疾病关联预测模型DAHNGC。该模型包括两种特征提取方法,专门用于从同质和异质网络中提取药物和疾病的属性特征。首先,将DropEdge技术添加到图卷积神经网络中,以缓解过度光滑的问题,并在同构网络中获得药物或疾病的相同节点的特征。然后,设计了一种异构网络中的自动特征提取方法,以获取不同节点的药物或疾病的特征。最后,将获得的特征放入全连通网络中进行非线性变换,并通过双线性解码获得潜在的药物-疾病对。实验结果表明,DAHNGC模型对药物-疾病相关性具有良好的预测性能。
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DAHNGC: A Graph Convolution Model for Drug-Disease Association Prediction by Using Heterogeneous Network.

In the field of drug development and repositioning, the prediction of drug-disease associations is a critical task. A recently proposed method for predicting drug-disease associations based on graph convolution relies heavily on the features of adjacent nodes within the homogeneous network for characterizing information. However, this method lacks node attribute information from heterogeneous networks, which could hardly provide valuable insights for predicting drug-disease associations. In this study, a novel drug-disease association prediction model called DAHNGC is proposed, which is based on a graph convolutional neural network. This model includes two feature extraction methods that are specifically designed to extract the attribute characteristics of drugs and diseases from both homogeneous and heterogeneous networks. First, the DropEdge technique is added to the graph convolutional neural network to alleviate the oversmoothing problem and obtain the characteristics of the same nodes of drugs or diseases in the homogeneous network. Then, an automatic feature extraction method in the heterogeneous network is designed to obtain the features of drugs or diseases at different nodes. Finally, the obtained features are put into the fully connected network for nonlinear transformation, and the potential drug-disease pairs are obtained by bilinear decoding. Experimental results demonstrate that the DAHNGC model exhibits good predictive performance for drug-disease associations.

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来源期刊
Journal of Computational Biology
Journal of Computational Biology 生物-计算机:跨学科应用
CiteScore
3.60
自引率
5.90%
发文量
113
审稿时长
6-12 weeks
期刊介绍: Journal of Computational Biology is the leading peer-reviewed journal in computational biology and bioinformatics, publishing in-depth statistical, mathematical, and computational analysis of methods, as well as their practical impact. Available only online, this is an essential journal for scientists and students who want to keep abreast of developments in bioinformatics. Journal of Computational Biology coverage includes: -Genomics -Mathematical modeling and simulation -Distributed and parallel biological computing -Designing biological databases -Pattern matching and pattern detection -Linking disparate databases and data -New tools for computational biology -Relational and object-oriented database technology for bioinformatics -Biological expert system design and use -Reasoning by analogy, hypothesis formation, and testing by machine -Management of biological databases
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