CDPMF-DDA:药物-疾病关联预测的对比深度概率矩阵分解。

IF 2.9 3区 生物学 Q2 BIOCHEMICAL RESEARCH METHODS
Xianfang Tang, Yawen Hou, Yajie Meng, Zhaojing Wang, Changcheng Lu, Juan Lv, Xinrong Hu, Junlin Xu, Jialiang Yang
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引用次数: 0

摘要

新药开发的过程是复杂的,而药物-疾病关联(DDA)预测旨在确定现有药物的新治疗用途。然而,现有的图对比学习方法通常依赖于单视图对比学习,难以完全捕获药物-疾病关系。随后,我们引入了一种名为CDPMF-DDA的新型多视图对比学习框架,该框架通过整合来自不同视图的不同信息表示来增强模型捕获药物-疾病关联的能力。首先,我们将原始的药物-疾病关联矩阵分解为药物和疾病特征矩阵,然后利用这些特征矩阵重构药物-疾病关联网络,以及药物-药物和疾病-疾病相似网络。这一过程有效地降低了数据中的噪声,为生成的网络奠定了可靠的基础。接下来,我们从原始和生成的网络中生成多个对比视图。这些视图有效地捕获隐藏的特征关联,显著地增强了模型表示复杂关系的能力。在三个标准数据集上进行的大量交叉验证实验表明,CDPMF-DDA的平均AUC为0.9475,AUPR为0.5009,优于现有模型。此外,对阿尔茨海默病和癫痫的案例研究进一步验证了该模型的有效性,证明了其在药物-疾病关联预测中的准确性和鲁棒性。基于多视角对比学习框架,CDPMF-DDA能够整合多源信息并有效捕获复杂的药物-疾病关联,使其成为药物重新定位和发现新治疗策略的有力工具。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
CDPMF-DDA: contrastive deep probabilistic matrix factorization for drug-disease association prediction.

The process of new drug development is complex, whereas drug-disease association (DDA) prediction aims to identify new therapeutic uses for existing medications. However, existing graph contrastive learning approaches typically rely on single-view contrastive learning, which struggle to fully capture drug-disease relationships. Subsequently, we introduce a novel multi-view contrastive learning framework, named CDPMF-DDA, which enhances the model's ability to capture drug-disease associations by incorporating diverse information representations from different views. First, we decompose the original drug-disease association matrix into drug and disease feature matrices, which are then used to reconstruct the drug-disease association network, as well as the drug-drug and disease-disease similarity networks. This process effectively reduces noise in the data, establishing a reliable foundation for the networks produced. Next, we generate multiple contrastive views from both the original and generated networks. These views effectively capture hidden feature associations, significantly enhancing the model's ability to represent complex relationships. Extensive cross-validation experiments on three standard datasets show that CDPMF-DDA achieves an average AUC of 0.9475 and an AUPR of 0.5009, outperforming existing models. Additionally, case studies on Alzheimer's disease and epilepsy further validate the model's effectiveness, demonstrating its high accuracy and robustness in drug-disease association prediction. Based on a multi-view contrastive learning framework, CDPMF-DDA is capable of integrating multi-source information and effectively capturing complex drug-disease associations, making it a powerful tool for drug repositioning and the discovery of new therapeutic strategies.

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来源期刊
BMC Bioinformatics
BMC Bioinformatics 生物-生化研究方法
CiteScore
5.70
自引率
3.30%
发文量
506
审稿时长
4.3 months
期刊介绍: BMC Bioinformatics is an open access, peer-reviewed journal that considers articles on all aspects of the development, testing and novel application of computational and statistical methods for the modeling and analysis of all kinds of biological data, as well as other areas of computational biology. BMC Bioinformatics is part of the BMC series which publishes subject-specific journals focused on the needs of individual research communities across all areas of biology and medicine. We offer an efficient, fair and friendly peer review service, and are committed to publishing all sound science, provided that there is some advance in knowledge presented by the work.
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