Tang Xianfang, Hou Yawen, Meng Yajie, Wang Zhaojing, Lu Changcheng, Lv Juan, Hu Xinrong, Xu Junlin, Yang Jialiang
School of Computer Science and Artificial Intelligence, Wuhan Textile University, Wuhan, 430200, China.
College of Computer Science and Electronic Engineering, Hunan University, Changsha, 410082, China.
BMC Bioinformatics. 2025 Jan 7;26(1):5. doi: 10.1186/s12859-024-06032-w.
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.
新药研发过程复杂,而药物-疾病关联(DDA)预测旨在识别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单视图对比学习,难以充分捕捉药物-疾病关系。随后,我们引入了一种新颖的多视图对比学习框架,名为CDPMF-DDA,它通过整合来自不同视图的多样信息表示来增强模型捕捉药物-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,然后用于重建药物-疾病关联网络以及药物-药物和疾病-疾病相似性网络。这一过程有效降低了数据中的噪声,为生成的网络奠定了可靠基础。接下来,我们从原始网络和生成网络中生成多个对比视图。这些视图有效捕捉了隐藏的特征关联,显著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广泛交叉验证实验表明,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-疾病关联预测中的高准确性和稳健性。基于多视图对比学习框架,CDPMF-DDA能够整合多源信息并有效捕捉复杂的药物-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。