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人工智能在早期药物发现中实现精准医学。

Artificial intelligence in early drug discovery enabling precision medicine.

机构信息

Institute of Computational Biology, Helmholtz Zentrum München - German Research Centre for Environmental Health, Munich, Germany.

School of Medicine, Chair of Translational Cancer Research and Institute for Experimental Cancer Therapy, Klinikum Rechts Der Isar, Technische Universität München, Munich, Germany.

出版信息

Expert Opin Drug Discov. 2021 Sep;16(9):991-1007. doi: 10.1080/17460441.2021.1918096. Epub 2021 Jun 2.

Abstract

: Precision medicine is the concept of treating diseases based on environmental factors, lifestyles, and molecular profiles of patients. This approach has been found to increase success rates of clinical trials and accelerate drug approvals. However, current precision medicine applications in early drug discovery use only a handful of molecular biomarkers to make decisions, whilst clinics gear up to capture the full molecular landscape of patients in the near future. This deep multi-omics characterization demands new analysis strategies to identify appropriate treatment regimens, which we envision will be pioneered by artificial intelligence.: In this review, the authors discuss the current state of drug discovery in precision medicine and present our vision of how artificial intelligence will impact biomarker discovery and drug design.: Precision medicine is expected to revolutionize modern medicine; however, its traditional form is focusing on a few biomarkers, thus not equipped to leverage the full power of molecular landscapes. For learning how the development of drugs can be tailored to the heterogeneity of patients across their molecular profiles, artificial intelligence algorithms are the next frontier in precision medicine and will enable a fully personalized approach in drug design, and thus ultimately impacting clinical practice.

摘要

精准医学是一种根据患者的环境因素、生活方式和分子特征来治疗疾病的理念。这种方法已被证明可以提高临床试验的成功率并加速药物审批。然而,目前早期药物发现中的精准医学应用仅使用少数分子生物标志物来做出决策,而临床医生正准备在不久的将来捕获患者的全部分子特征。这种深度的多组学特征需要新的分析策略来确定合适的治疗方案,我们设想人工智能将率先开发这些策略。在这篇综述中,作者讨论了精准医学中的药物发现现状,并提出了我们对人工智能如何影响生物标志物发现和药物设计的看法。精准医学有望彻底改变现代医学;然而,其传统形式主要关注少数生物标志物,因此无法充分利用分子特征的全部力量。为了了解如何根据患者分子特征的异质性来调整药物的开发,人工智能算法是精准医学的下一个前沿领域,它将使药物设计实现完全个性化,并最终影响临床实践。

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