用于药物再利用的知识图谱:数据库和方法综述。

IF 6.8 2区 生物学 Q1 BIOCHEMICAL RESEARCH METHODS
Pablo Perdomo-Quinteiro, Alberto Belmonte-Hernández
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引用次数: 0

摘要

药物再利用已成为确定各种疾病新疗法的一种有效且高效的策略。发现潜在候选新药的最有效方法之一是利用知识图谱(KG)。本综述全面探讨了一些最著名的知识图谱,详细介绍了它们的结构、数据来源以及如何促进药物的再利用。除知识图谱外,本文还深入探讨了可增强药物再利用过程的各种人工智能技术。这些方法不仅能加速识别可行的候选药物,还能利用复杂的数据集和先进的算法提高预测的精确度。此外,还强调了可解释性在药物再利用中的重要性。可解释性方法至关重要,因为它们能让人们深入了解人工智能预测背后的推理,从而提高再利用过程的可信度和透明度。我们将讨论几种可用于验证这些预测的技术,确保它们既可靠又易于理解。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Knowledge Graphs for drug repurposing: a review of databases and methods.

Drug repurposing has emerged as a effective and efficient strategy to identify new treatments for a variety of diseases. One of the most effective approaches for discovering potential new drug candidates involves the utilization of Knowledge Graphs (KGs). This review comprehensively explores some of the most prominent KGs, detailing their structure, data sources, and how they facilitate the repurposing of drugs. In addition to KGs, this paper delves into various artificial intelligence techniques that enhance the process of drug repurposing. These methods not only accelerate the identification of viable drug candidates but also improve the precision of predictions by leveraging complex datasets and advanced algorithms. Furthermore, the importance of explainability in drug repurposing is emphasized. Explainability methods are crucial as they provide insights into the reasoning behind AI-generated predictions, thereby increasing the trustworthiness and transparency of the repurposing process. We will discuss several techniques that can be employed to validate these predictions, ensuring that they are both reliable and understandable.

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来源期刊
Briefings in bioinformatics
Briefings in bioinformatics 生物-生化研究方法
CiteScore
13.20
自引率
13.70%
发文量
549
审稿时长
6 months
期刊介绍: Briefings in Bioinformatics is an international journal serving as a platform for researchers and educators in the life sciences. It also appeals to mathematicians, statisticians, and computer scientists applying their expertise to biological challenges. The journal focuses on reviews tailored for users of databases and analytical tools in contemporary genetics, molecular and systems biology. It stands out by offering practical assistance and guidance to non-specialists in computerized methodologies. Covering a wide range from introductory concepts to specific protocols and analyses, the papers address bacterial, plant, fungal, animal, and human data. The journal's detailed subject areas include genetic studies of phenotypes and genotypes, mapping, DNA sequencing, expression profiling, gene expression studies, microarrays, alignment methods, protein profiles and HMMs, lipids, metabolic and signaling pathways, structure determination and function prediction, phylogenetic studies, and education and training.
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