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跨视图对比表示学习方法,通过整合多源信息来预测 DTIs。

Cross-view contrastive representation learning approach to predicting DTIs via integrating multi-source information.

机构信息

School of Computer Science, Sichuan University, Chengdu 610065, China; Med-X Center for Informatics, Sichuan University, Chengdu 610065, China.

School of Computer Science, Sichuan University, Chengdu 610065, China.

出版信息

Methods. 2023 Oct;218:176-188. doi: 10.1016/j.ymeth.2023.08.006. Epub 2023 Aug 14.

Abstract

Drug-target interaction (DTI) prediction serves as the foundation of new drug findings and drug repositioning. For drugs/targets, the sequence data contains the biological structural information, while the heterogeneous network contains the biochemical functional information. These two types of information describe different aspects of drugs and targets. Due to the complexity of DTI machinery, it is necessary to learn the representation from multiple perspectives. We hereby try to design a way to leverage information from multi-source data to the maximum extent and find a strategy to fuse them. To address the above challenges, we propose a model, named MOVE (short for integrating multi-source information for predicting DTI via cross-view contrastive learning), for learning comprehensive representations of each drug and target from multi-source data. MOVE extracts information from the sequence view and the network view, then utilizes a fusion module with auxiliary contrastive learning to facilitate the fusion of representations. Experimental results on the benchmark dataset demonstrate that MOVE is effective in DTI prediction.

摘要

药物-靶点相互作用(DTI)预测是新药发现和药物重定位的基础。对于药物/靶点,序列数据包含生物结构信息,而异构网络包含生化功能信息。这两种类型的信息描述了药物和靶点的不同方面。由于 DTI 机制的复杂性,有必要从多个角度学习表示。我们在此尝试设计一种最大限度地利用多源数据信息的方法,并找到一种融合它们的策略。为了解决上述挑战,我们提出了一种名为 MOVE(通过跨视图对比学习整合多源信息预测 DTI 的缩写)的模型,用于从多源数据中学习每个药物和靶点的综合表示。MOVE 从序列视图和网络视图中提取信息,然后利用带有辅助对比学习的融合模块来促进表示的融合。在基准数据集上的实验结果表明,MOVE 在 DTI 预测中是有效的。

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