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HGNNLDA:通过双通道超图神经网络预测 lncRNA-药物敏感性关联。

HGNNLDA: Predicting lncRNA-Drug Sensitivity Associations via a Dual Channel Hypergraph Neural Network.

出版信息

IEEE/ACM Trans Comput Biol Bioinform. 2023 Nov-Dec;20(6):3547-3555. doi: 10.1109/TCBB.2023.3302468. Epub 2023 Dec 25.

DOI:10.1109/TCBB.2023.3302468
PMID:37549089
Abstract

Drug sensitivity is critical for enabling personalized treatment. Many studies have shown that long non-coding RNAs (lncRNAs) are closely related to drug sensitivity because lncRNAs can regulate genes related to drug sensitivity to affect drug efficacy. Exploring lncRNA-drug sensitivity associations has important implications for drug development and disease treatment. However, identifying lncRNA-drug sensitivity associations based on traditional biological approaches is small-scale and time-consuming. In this work, we develop a dual-channel hypergraph neural network-based method named HGNNLDA to infer unknown lncRNA-drug sensitivity associations. To our best knowledge, HGNNLDA is the first computational framework to predict lncRNA-drug sensitivity associations. HGNNLDA applies the hypergraph neural network to obtain high-order neighbor information on the lncRNA hypergraph and the drug hypergraph, respectively, and utilizes a joint update mechanism to generate lncRNA embeddings and drug embeddings. In traditional graphs, an edge contains only two nodes. However, hyperedges in hypergraphs can contain any number of nodes and hypergraphs can well describe the higher-order connectivity of the lncRNA-drug bipartite graphs. The comprehensive experimental results show that HGNNLDA significantly outperforms the other six state-of-the-art models. Case studies on two drugs further illustrate that HGNNLDA is an effective tool to predict lncRNA-drug sensitivity associations.

摘要

药物敏感性对于实现个性化治疗至关重要。许多研究表明,长非编码 RNA(lncRNA)与药物敏感性密切相关,因为 lncRNA 可以调节与药物敏感性相关的基因,从而影响药物疗效。探索 lncRNA-药物敏感性的关联对于药物开发和疾病治疗具有重要意义。然而,基于传统生物学方法识别 lncRNA-药物敏感性关联是小规模且耗时的。在这项工作中,我们开发了一种基于双通道超图神经网络的方法,称为 HGNNLDA,用于推断未知的 lncRNA-药物敏感性关联。据我们所知,HGNNLDA 是第一个预测 lncRNA-药物敏感性关联的计算框架。HGNNLDA 将超图神经网络应用于 lncRNA 超图和药物超图上,分别获取高阶邻居信息,并利用联合更新机制生成 lncRNA 嵌入和药物嵌入。在传统图中,边仅包含两个节点。然而,超图中的超边可以包含任意数量的节点,超图可以很好地描述 lncRNA-药物二分图的高阶连接性。全面的实验结果表明,HGNNLDA 显著优于其他六个最先进的模型。对两种药物的案例研究进一步表明,HGNNLDA 是预测 lncRNA-药物敏感性关联的有效工具。

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