大模型时代:骨质疏松药物发现中的深度学习。

IF 5.3 2区 化学 Q1 CHEMISTRY, MEDICINAL
Junlin Xu, Xiaobo Wen, Li Sun, Kunyue Xing, Linyuan Xue, Sha Zhou, Jiayi Hu, Zhijuan Ai, Qian Kong, Zishu Wen, Li Guo, Minglu Hao, Dongming Xing
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引用次数: 0

摘要

骨质疏松症是骨组织的系统性微结构退化,常伴有骨折、疼痛等并发症,导致患者生活质量下降。随着骨质疏松症发病率的增加,相关药物的研发越来越受到重视,但由于研发周期长、成本高,往往面临挑战。深度学习具有强大的数据处理能力,在药物发现领域显示出显著的优势。随着技术的发展,它越来越多地应用于药物发现的各个阶段。特别是近年来发展迅速的大型模型,由于其参数大、处理复杂任务的能力,为理解疾病机制和促进药物发现提供了新的方法。本文介绍了深度学习领域的传统模型和大型模型,系统总结了它们在药物发现各个阶段的应用,并分析了它们在骨质疏松症药物发现中的应用前景。最后,深入讨论了大型模型的优点和局限性,以期对未来的药物发现有所帮助。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Large Model Era: Deep Learning in Osteoporosis Drug Discovery.

Osteoporosis is a systemic microstructural degradation of bone tissue, often accompanied by fractures, pain, and other complications, resulting in a decline in patients' life quality. In response to the increased incidence of osteoporosis, related drug discovery has attracted more and more attention, but it is often faced with challenges due to long development cycle and high cost. Deep learning with powerful data processing capabilities has shown significant advantages in the field of drug discovery. With the development of technology, it is more and more applied to all stages of drug discovery. In particular, large models, which have been developed rapidly recently, provide new methods for understanding disease mechanisms and promoting drug discovery because of their large parameters and ability to deal with complex tasks. This review introduces the traditional models and large models in the deep learning domain, systematically summarizes their applications in each stage of drug discovery, and analyzes their application prospect in osteoporosis drug discovery. Finally, the advantages and limitations of large models are discussed in depth, in order to help future drug discovery.

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来源期刊
CiteScore
9.80
自引率
10.70%
发文量
529
审稿时长
1.4 months
期刊介绍: The Journal of Chemical Information and Modeling publishes papers reporting new methodology and/or important applications in the fields of chemical informatics and molecular modeling. Specific topics include the representation and computer-based searching of chemical databases, molecular modeling, computer-aided molecular design of new materials, catalysts, or ligands, development of new computational methods or efficient algorithms for chemical software, and biopharmaceutical chemistry including analyses of biological activity and other issues related to drug discovery. Astute chemists, computer scientists, and information specialists look to this monthly’s insightful research studies, programming innovations, and software reviews to keep current with advances in this integral, multidisciplinary field. As a subscriber you’ll stay abreast of database search systems, use of graph theory in chemical problems, substructure search systems, pattern recognition and clustering, analysis of chemical and physical data, molecular modeling, graphics and natural language interfaces, bibliometric and citation analysis, and synthesis design and reactions databases.
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