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药物发现中基于网络的多组学整合分析方法:一项系统综述

Network-based multi-omics integrative analysis methods in drug discovery: a systematic review.

作者信息

Jiang Wei, Ye Weicai, Tan Xiaoming, Bao Yun-Juan

机构信息

School of Life Sciences, Hubei University, Wuhan, China.

School of Computer Science and Engineering, Guangdong Province Key Laboratory of Computational Science, National Engineering Laboratory for Big Data Analysis and Application, Sun Yat-sen University, Guangzhou, China.

出版信息

BioData Min. 2025 Mar 28;18(1):27. doi: 10.1186/s13040-025-00442-z.

DOI:10.1186/s13040-025-00442-z
PMID:40155979
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC11954193/
Abstract

The integration of multi-omics data from diverse high-throughput technologies has revolutionized drug discovery. While various network-based methods have been developed to integrate multi-omics data, systematic evaluation and comparison of these methods remain challenging. This review aims to analyze network-based approaches for multi-omics integration and evaluate their applications in drug discovery. We conducted a comprehensive review of literature (2015-2024) on network-based multi-omics integration methods in drug discovery, and categorized methods into four primary types: network propagation/diffusion, similarity-based approaches, graph neural networks, and network inference models. We also discussed the applications of the methods in three scenario of drug discovery, including drug target identification, drug response prediction, and drug repurposing, and finally evaluated the performance of the methods by highlighting their advantages and limitations in specific applications. While network-based multi-omics integration has shown promise in drug discovery, challenges remain in computational scalability, data integration, and biological interpretation. Future developments should focus on incorporating temporal and spatial dynamics, improving model interpretability, and establishing standardized evaluation frameworks.

摘要

来自各种高通量技术的多组学数据整合彻底改变了药物发现。虽然已经开发了各种基于网络的方法来整合多组学数据,但对这些方法进行系统评估和比较仍然具有挑战性。本综述旨在分析基于网络的多组学整合方法,并评估它们在药物发现中的应用。我们对2015年至2024年关于药物发现中基于网络的多组学整合方法的文献进行了全面综述,并将这些方法分为四种主要类型:网络传播/扩散、基于相似性的方法、图神经网络和网络推理模型。我们还讨论了这些方法在药物发现的三种场景中的应用,包括药物靶点识别、药物反应预测和药物再利用,最后通过突出它们在特定应用中的优点和局限性来评估这些方法的性能。虽然基于网络的多组学整合在药物发现中显示出了前景,但在计算可扩展性、数据整合和生物学解释方面仍然存在挑战。未来的发展应侧重于纳入时空动态、提高模型可解释性以及建立标准化评估框架。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ad7b/11954193/958062e86896/13040_2025_442_Fig3_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ad7b/11954193/78c98536aa86/13040_2025_442_Fig1_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ad7b/11954193/fc0c45a530ec/13040_2025_442_Fig2_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ad7b/11954193/958062e86896/13040_2025_442_Fig3_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ad7b/11954193/78c98536aa86/13040_2025_442_Fig1_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ad7b/11954193/fc0c45a530ec/13040_2025_442_Fig2_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ad7b/11954193/958062e86896/13040_2025_442_Fig3_HTML.jpg

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