Drug repositioning, the strategy of redirecting existing drugs to new therapeutic purposes, is pivotal in accelerating drug discovery. While many studies have engaged in modeling complex drug–disease associations, they often overlook the relevance between different node embeddings. Consequently, we propose a novel weighted local information augmented graph neural network model, termed DRAGNN, for drug repositioning. Specifically, DRAGNN firstly incorporates a graph attention mechanism to dynamically allocate attention coefficients to drug and disease heterogeneous nodes, enhancing the effectiveness of target node information collection. To prevent excessive embedding of information in a limited vector space, we omit self-node information aggregation, thereby emphasizing valuable heterogeneous and homogeneous information. Additionally, average pooling in neighbor information aggregation is introduced to enhance local information while maintaining simplicity. A multi-layer perceptron is then employed to generate the final association predictions. The model’s effectiveness for drug repositioning is supported by a 10-times 10-fold cross-validation on three benchmark datasets. Further validation is provided through analysis of the predicted associations using multiple authoritative data sources, molecular docking experiments and drug–disease network analysis, laying a solid foundation for future drug discovery.
21 November 2023 in IEEE Journal of Biomedical and Health Informatics
Drug repositioning has emerged as a promising strategy for identifying new therapeutic applications for existing drugs. In this study, we present DRGBCN, a novel computational method that integrates heterogeneous information through a deep bilinear attention network to infer potential drugs for specific diseases. DRGBCN involves constructing a comprehensive drug-disease network by incorporating multiple similarity networks for drugs and diseases. Firstly, we introduce a layer attention mechanism to effectively learn the embeddings of graph convolutional layers from these networks. Subsequently, a bilinear attention network is constructed to capture pairwise local interactions between drugs and diseases. This combined approach enhances the accuracy and reliability of predictions. Finally, a multi-layer perceptron module is employed to evaluate potential drugs. Through extensive experiments on three publicly available datasets, DRGBCN demonstrates better performance over baseline methods in 10-fold cross-validation, achieving an average area under the receiver operating characteristic curve (AUROC) of 0.9399. Furthermore, case studies on bladder cancer and acute lymphoblastic leukemia confirm the practical application of DRGBCN in real-world drug repositioning scenarios. Importantly, our experimental results from the drug-disease network analysis reveal the successful clustering of similar drugs within the same community, providing valuable insights into drug-disease interactions. In conclusion, DRGBCN holds significant promise for uncovering new therapeutic applications of existing drugs, thereby contributing to the advancement of precision medicine.
The high dimension, high redundancy and class imbalance of cancer multiple omics data are the main challenges for cancer diagnosis. Existing studies have neglected the role of functional proteomics in the occurrence and development of cancer. In this study, a novel hybrid feature selection and ensemble learning framework, referred to as the three-stage feature selection and twice-competitional ensemble learning method (TSFS-TCEM), is proposed for cancer diagnosis. Firstly, we combine the transcriptome and functional proteomics data to construct a multi-omics data on breast cancer, which is the first time to apply these combined biological data for diagnosing breast cancer. Secondly, the proposed method introduces multiple models during the feature selection and diagnostic model construction. The three-stage feature selections integrate the features from different types of data and the twice-competitional ensemble learning framework resolves the data imbalance problem suffer from a single classifier. The TSFS-TCEM achieves a diagnostic accuracy of 99.64%, outperforming all compared methods. In addition, the 5-fold cross-validation sensitivity, specificity and F-Measure of the method are above 99.63%.
27 December 2024 in IEEE Journal of Biomedical and Health Informatics
In recent years, deep learning achieves significant advancements in medical image segmentation. Research finds that integrating Transformers and CNNs effectively addresses the limitations of CNNs in managing long-distance dependencies and understanding global information.However, existing models typically employ a serial approach to combine Transformers and CNNs, which complicates the simultaneous processing of global and local information. To address this, our study proposes a parallel multi-path attention architecture, SWMA-UNET, that integrates Transformers and CNNs. This architecture deeply mines features through parallel strategies while capturing both local details and global context information, thereby enhancing the accuracy of medical image segmentation. Experimental results indicate that our method surpasses all previously reported methods in the literature on the Synapse, ACDC, ISIC 2018 and MoNuSeg datasets. The code for our proposed method is available at https://github.com/Biowust/SWMA-UNet .