BGAT: A Multi Information Fusion Drug Repurposing Framework Based on Graph Convolutional Network

Dingan Sun, Zhao-hui Wang, Shuai Jiang, Wei Huang
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Abstract

Traditional drug research and development is time-consuming, expensive and low success rate. Computational drug repurposing method can find the possible drug-disease associations quickly and systematically, which is of great significance for clinical research. In recent studies, computational drug repurposing is regarded as the prediction of drug-disease link. The biological function is more and more used to interpret biological significance. According to our research, biological function data has not been used in the research of drug repurposing, but it has practical research significance.Therefore, we implement an information fusion model BGAT based on drug/disease-target, protein-biological function and PPI. BGAT model uses the fusion of multiple bipartite graph convolution networks to effectively fuse various types of data information, and deeply extract protein features to update the hidden embedding representation of drugs nodes, disease nodes and biological functions nodes. Then the BGAT model scores the drug-disease pair through the improved multilayer perceptron BMLP to accurately predict the drug-disease associations. The superiority and practicability of our model are verified by comparing with the existing dominant algorithms BiFusion, NeoDTI, and baseline algorithms that include SVM and random forest.
基于图卷积网络的多信息融合药物再利用框架
传统药物研发耗时长、费用高、成功率低。计算药物再利用方法能够快速、系统地发现可能存在的药物-疾病关联,对临床研究具有重要意义。在最近的研究中,计算药物再利用被认为是药物-疾病联系的预测。生物学功能越来越多地被用来解释生物学意义。根据我们的研究,生物功能数据尚未用于药物再利用的研究,但具有实际的研究意义。为此,我们实现了基于药物/疾病靶点、蛋白质生物学功能和PPI的信息融合模型BGAT。BGAT模型利用多个二部图卷积网络的融合,有效融合各类数据信息,深度提取蛋白质特征,更新药物节点、疾病节点和生物功能节点的隐藏嵌入表示。然后,BGAT模型通过改进的多层感知器BMLP对药物-疾病对进行评分,以准确预测药物-疾病关联。通过与现有的主流算法BiFusion、NeoDTI以及包含SVM和随机森林的基线算法进行比较,验证了该模型的优越性和实用性。
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