微重力生物学知识图谱三元关系预测模型构建及应用

    Construction and Application of a Ternary Relationship Prediction Model for Microgravity Biological Knowledge Graph

    • 空间微重力环境会对航天员的生理和心理健康造成重大影响, 包括骨骼密度下降、肌肉萎缩、心血管功能改变等. 这些问题对于实现长期空间居住和深空探测构成重大障碍. 为应对这些问题, 研究通过整合微重力生物学知识图谱(Microgravity Biomedical Knowledge Graph, MBKG)和药物重定位知识图谱(Drug Repurposing Knowledge Graph, DRKG), 构建一个全面的知识图谱, 覆盖广泛的疾病、药物和基因实体及实体之间的复杂关系. 在此基础上, 研究训练并使用新的三元关系预测模型异质因果元路径图神经网络(Heterogeneous Causal Meta path Graph Neural Network, HCMGNN)获取预测结果. 结果表明, 与传统的知识图谱二元链路预测相比, 研究提出的三元预测方法在提高基因和药物预测准确率方面具有明显优势. 研究结论强调三元关系模型在探测基因–药物–疾病三元关系预测方面的有效性和潜力, 不仅为未来空间探测中航天员的生理和心理健康、药物再利用研究提供了新的方法和研究思路, 而且为药物再利用领域开辟了新的视角.

       

      Abstract: With the advancement of science and technology, the demand for space exploration has become particularly urgent. However, the microgravity environment in space has negative impacts on the physiological and psychological health of astronauts, including decreased bone density, muscle atrophy, and changes in cardiovascular function. These challenges pose significant barriers to the realization of long-term space habitation and deep space exploration. To address these challenges, this study integrates Microgravity Biomedical Knowledge Graphs (MBKG) and Drug Repurposing Knowledge Graphs (DRKG) to construct a comprehensive knowledge graph that covers a wide range of diseases, drugs, and genes, as well as the complex relationships between entities. Based on this, the study trains and uses a new ternary relationship prediction model, Heterogeneous Causal Meta path Graph Neural Network (HCMGNN), to obtain prediction results. The results show that compared with traditional binary link prediction in knowledge graphs, the ternary prediction method proposed in this study has a significant advantage in improving the accuracy of gene and drug predictions. The study concludes that the ternary relationship model is effective and has the potential to explore the prediction of gene-drug-disease ternary relationships, provide new methods and research ideas for the physiological and psychological health of astronauts in future space exploration and drug repurposing research, and opening up new perspectives in the field of drug repurposing.

       

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