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用文本信息表示异构药学知识图谱。

Representing a Heterogeneous Pharmaceutical Knowledge-Graph with Textual Information.

作者信息

Asada Masaki, Gunasekaran Nallappan, Miwa Makoto, Sasaki Yutaka

机构信息

Computational Intelligence Laboratory, Toyota Technological Institute, Nagoya, Japan.

出版信息

Front Res Metr Anal. 2021 Jul 1;6:670206. doi: 10.3389/frma.2021.670206. eCollection 2021.

DOI:10.3389/frma.2021.670206
PMID:34278204
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC8281808/
Abstract

We deal with a heterogeneous pharmaceutical knowledge-graph containing textual information built from several databases. The knowledge graph is a heterogeneous graph that includes a wide variety of concepts and attributes, some of which are provided in the form of textual pieces of information which have not been targeted in the conventional graph completion tasks. To investigate the utility of textual information for knowledge graph completion, we generate embeddings from textual descriptions given to heterogeneous items, such as drugs and proteins, while learning knowledge graph embeddings. We evaluate the obtained graph embeddings on the link prediction task for knowledge graph completion, which can be used for drug discovery and repurposing. We also compare the results with existing methods and discuss the utility of the textual information.

摘要

我们处理的是一个异构的药学知识图谱,它包含从多个数据库构建的文本信息。该知识图谱是一个异构图,包含各种各样的概念和属性,其中一些是以文本信息的形式提供的,而这些文本信息在传统的图补全任务中并未作为目标。为了研究文本信息对知识图谱补全的效用,我们在学习知识图谱嵌入的同时,从给予异构项目(如药物和蛋白质)的文本描述中生成嵌入。我们在用于知识图谱补全的链接预测任务上评估所获得的图嵌入,该任务可用于药物发现和药物重新利用。我们还将结果与现有方法进行比较,并讨论文本信息的效用。

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本文引用的文献

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Using drug descriptions and molecular structures for drug-drug interaction extraction from literature.从文献中提取药物-药物相互作用的药物描述和分子结构。
Bioinformatics. 2021 Jul 19;37(12):1739-1746. doi: 10.1093/bioinformatics/btaa907.
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Drug-drug interaction extraction via hybrid neural networks on biomedical literature.基于生物医学文献的混合神经网络的药物-药物相互作用提取。
J Biomed Inform. 2020 Jun;106:103432. doi: 10.1016/j.jbi.2020.103432. Epub 2020 Apr 23.
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Natural Language Processing of Clinical Notes on Chronic Diseases: Systematic Review.
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慢性病临床记录的自然语言处理:系统综述
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BMC Bioinformatics. 2019 Feb 4;19(Suppl 13):57. doi: 10.1186/s12859-019-2607-x.
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DrugBank 5.0: a major update to the DrugBank database for 2018.DrugBank 5.0:2018 年 DrugBank 数据库的重大更新。
Nucleic Acids Res. 2018 Jan 4;46(D1):D1074-D1082. doi: 10.1093/nar/gkx1037.
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Drug drug interaction extraction from biomedical literature using syntax convolutional neural network.使用句法卷积神经网络从生物医学文献中提取药物相互作用
Bioinformatics. 2016 Nov 15;32(22):3444-3453. doi: 10.1093/bioinformatics/btw486. Epub 2016 Jul 27.
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Hospital admissions/visits associated with drug-drug interactions: a systematic review and meta-analysis.药物-药物相互作用相关的住院/就诊情况:系统评价和荟萃分析。
Pharmacoepidemiol Drug Saf. 2014 May;23(5):489-97. doi: 10.1002/pds.3592. Epub 2014 Mar 10.
9
DrugBank 4.0: shedding new light on drug metabolism.DrugBank 4.0:揭示药物代谢的新视角。
Nucleic Acids Res. 2014 Jan;42(Database issue):D1091-7. doi: 10.1093/nar/gkt1068. Epub 2013 Nov 6.
10
SMPDB 2.0: big improvements to the Small Molecule Pathway Database.SMPDB 2.0:对小分子通路数据库的重大改进。
Nucleic Acids Res. 2014 Jan;42(Database issue):D478-84. doi: 10.1093/nar/gkt1067. Epub 2013 Nov 6.