A Multitask Prediction Framework for CircRNAs, Drugs, and Diseases Based on Multi-View Information Integration and Graph Contrastive Learning

IF 4.5 2区 生物学 Q1 BIOCHEMICAL RESEARCH METHODS
ACS Synthetic Biology Pub Date : 2026-08-21 Epub Date: 2026-07-01 DOI:10.1021/acssynbio.6c00184
Shudong Wang, Bo Yue, Tiyao Liu, Wenhao Wu, Wenjing Yin, Shanchen Pang
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引用次数: 0

Abstract

As a part of drug discovery, the exploration of circRNA-drug sensitivity associations (CRAs), drug-disease associations (RDAs) has been an important means of understanding disease mechanisms and proposing new treatment strategies. Due to the time-consuming and labor-intensive nature of biological experiments, computational methods have become effective solutions to this problem. However, existing computational methods for inferring CRAs, RDAs typically operate in isolation, failing to exploit the rich interplay across circRNAs, drugs, and diseases. In this paper, we propose MVII-GCL, a novel multitask prediction framework built upon multiview information integration and graph contrastive learning. MVII-GCL first constructs a multiview network encompassing attribute, topology, and association perspectives, explicitly tailored to capture the unique characteristics of each domain. To map multiview information into a unified latent space, our multiview attention encoder module employs domain-specific encoders to learn specialized representations, followed by a Top-k sparse attention mechanism. To further bolster robustness against data sparsity and noise, a symmetric graph contrastive learning objective is seamlessly integrated as a regularization term within the multitask learning paradigm. 5-fold cross-validation demonstrates our model’s strong performance, achieving AUC, AUPR, and F1 scores of 0.9764, 0.9750, and 0.9234 in drug-disease association prediction, and 0.9301, 0.9339, and 0.8609 in circRNA-drug sensitivity prediction.Furthermore, case studies further support the model’s ability to discover potential associations.

基于多视图信息集成和图对比学习的circrna、药物和疾病多任务预测框架
作为药物发现的一部分,环状rna -药物敏感性关联(CRAs)、药物-疾病关联(RDAs)的探索已成为了解疾病机制和提出新的治疗策略的重要手段。由于生物实验费时费力,计算方法已成为解决这一问题的有效方法。然而,现有的推断cra、rda的计算方法通常是孤立运行的,无法利用circrna、药物和疾病之间丰富的相互作用。本文提出了一种基于多视图信息集成和图对比学习的多任务预测框架MVII-GCL。MVII-GCL首先构建一个包含属性、拓扑和关联透视图的多视图网络,明确定制以捕获每个域的独特特征。为了将多视图信息映射到统一的潜在空间,我们的多视图注意编码器模块采用特定领域的编码器来学习专门的表示,然后是Top-k稀疏注意机制。为了进一步增强对数据稀疏性和噪声的鲁棒性,对称图对比学习目标被无缝集成为多任务学习范式中的正则化项。5倍交叉验证表明我们的模型具有较强的性能,药物-疾病相关性预测AUC、AUPR和F1得分分别为0.9764、0.9750和0.9234,circrna -药物敏感性预测AUC、AUPR和F1得分分别为0.9301、0.9339和0.8609。此外,案例研究进一步支持模型发现潜在关联的能力。
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来源期刊
CiteScore
8.00
自引率
10.60%
发文量
380
审稿时长
6-12 weeks
期刊介绍: The journal is particularly interested in studies on the design and synthesis of new genetic circuits and gene products; computational methods in the design of systems; and integrative applied approaches to understanding disease and metabolism. Topics may include, but are not limited to: Design and optimization of genetic systems Genetic circuit design and their principles for their organization into programs Computational methods to aid the design of genetic systems Experimental methods to quantify genetic parts, circuits, and metabolic fluxes Genetic parts libraries: their creation, analysis, and ontological representation Protein engineering including computational design Metabolic engineering and cellular manufacturing, including biomass conversion Natural product access, engineering, and production Creative and innovative applications of cellular programming Medical applications, tissue engineering, and the programming of therapeutic cells Minimal cell design and construction Genomics and genome replacement strategies Viral engineering Automated and robotic assembly platforms for synthetic biology DNA synthesis methodologies Metagenomics and synthetic metagenomic analysis Bioinformatics applied to gene discovery, chemoinformatics, and pathway construction Gene optimization Methods for genome-scale measurements of transcription and metabolomics Systems biology and methods to integrate multiple data sources in vitro and cell-free synthetic biology and molecular programming Nucleic acid engineering.
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