使用知识图谱补全方法进行药物再利用。

IF 2.4 3区 管理学 Q2 INDUSTRIAL RELATIONS & LABOR
Roger Tu, Meghamala Sinha, Carolina González, Eric Hu, Shehzaad Dhuliawala, Andrew McCallum, Andrew I Su
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引用次数: 0

摘要

虽然知识图谱中的链接预测方法越来越多地被用于定位化合物与疾病之间的潜在关联,但这些方法缺乏足够的证据来解释药物与疾病之间可能存在关联的原因。基于知识图谱嵌入(KGE)的方法尤其如此,在这种方法中,药物与疾病的适应症仅通过从向量表示中收集的信息建立联系。互补路径行走算法可通过遍历知识图谱提高候选药物再利用的可信度。然而,这些方法通过药物的靶点、药理学或共同疾病,对药物之间的关联性进行了大量权衡。此外,这些方法可能依赖于任意提取的路径作为化合物与疾病适应症的证据,缺乏对罕见疾病进行预测的能力。在本文中,我们在一个庞大的生物医学知识图谱上评估了七种链接预测方法,用于药物再利用。我们遵循一致性原则,将基于路径的推理方法提供的推理路径和预测结果与 KGE 方法的推理路径和预测结果相结合,以确定药物再利用的可能适应症。最后,我们通过一个潜在的再利用适应症来强调我们方法的实用性。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Drug Repurposing using consilience of Knowledge Graph Completion methods.

While link prediction methods in knowledge graphs have been increasingly utilized to locate potential associations between compounds and diseases, they suffer from lack of sufficient evidence to explain why a drug and a disease may be indicated. This is especially true for knowledge graph embedding (KGE) based methods where a drug-disease indication is linked only by information gleaned from a vector representation. Complementary pathwalking algorithms can increase the confidence of drug repurposing candidates by traversing a knowledge graph. However, these methods heavily weigh the relatedness of drugs, through their targets, pharmacology or shared diseases. Furthermore, these methods can rely on arbitrarily extracted paths as evidence of a compound to disease indication and lack the ability to make predictions on rare diseases. In this paper, we evaluate seven link prediction methods on a vast biomedical knowledge graph for drug repurposing. We follow the principle of consilience, and combine the reasoning paths and predictions provided by path-based reasoning approaches with those of KGE methods to identify putative drug repurposing indications. Finally, we highlight the utility of our approach through a potential repurposing indication.

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来源期刊
Industrial Relations
Industrial Relations INDUSTRIAL RELATIONS & LABOR-
CiteScore
4.40
自引率
8.70%
发文量
25
期刊介绍: Corporate restructuring and downsizing, the changing employment relationship in union and nonunion settings, high performance work systems, the demographics of the workplace, and the impact of globalization on national labor markets - these are just some of the major issues covered in Industrial Relations. The journal offers an invaluable international perspective on economic, sociological, psychological, political, historical, and legal developments in labor and employment. It is the only journal in its field with this multidisciplinary focus on the implications of change for business, government and workers.
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