• 文献检索
  • 文档翻译
  • 深度研究
  • 学术资讯
  • Suppr Zotero 插件Zotero 插件
  • 邀请有礼
  • 套餐&价格
  • 历史记录
应用&插件
Suppr Zotero 插件Zotero 插件浏览器插件Mac 客户端Windows 客户端微信小程序
定价
高级版会员购买积分包购买API积分包
服务
文献检索文档翻译深度研究API 文档MCP 服务
关于我们
关于 Suppr公司介绍联系我们用户协议隐私条款
关注我们

Suppr 超能文献

核心技术专利:CN118964589B侵权必究
粤ICP备2023148730 号-1Suppr @ 2026

文献检索

告别复杂PubMed语法,用中文像聊天一样搜索,搜遍4000万医学文献。AI智能推荐,让科研检索更轻松。

立即免费搜索

文件翻译

保留排版,准确专业,支持PDF/Word/PPT等文件格式,支持 12+语言互译。

免费翻译文档

深度研究

AI帮你快速写综述,25分钟生成高质量综述,智能提取关键信息,辅助科研写作。

立即免费体验

相似文献

1
Reinforcement learning for systems pharmacology-oriented and personalized drug design.基于系统药理学和个性化药物设计的强化学习。
Expert Opin Drug Discov. 2022 Aug;17(8):849-863. doi: 10.1080/17460441.2022.2072288. Epub 2022 Aug 5.
2
Rational discovery of dual-indication multi-target PDE/Kinase inhibitor for precision anti-cancer therapy using structural systems pharmacology.基于结构系统药理学的理性发现双重适应证多靶标 PDE/激酶抑制剂用于精准抗癌治疗。
PLoS Comput Biol. 2019 Jun 17;15(6):e1006619. doi: 10.1371/journal.pcbi.1006619. eCollection 2019 Jun.
3
Providing data science support for systems pharmacology and its implications to drug discovery.为系统药理学提供数据科学支持及其对药物发现的影响。
Expert Opin Drug Discov. 2016;11(3):241-56. doi: 10.1517/17460441.2016.1135126. Epub 2016 Jan 9.
4
Integrating clinical pharmacology and artificial intelligence: potential benefits, challenges, and role of clinical pharmacologists.整合临床药理学和人工智能:潜在的益处、挑战以及临床药理学家的作用。
Expert Rev Clin Pharmacol. 2024 Apr;17(4):381-391. doi: 10.1080/17512433.2024.2317963. Epub 2024 Feb 15.
5
Machine learning for synergistic network pharmacology: a comprehensive overview.机器学习在协同网络药理学中的应用:全面综述。
Brief Bioinform. 2023 May 19;24(3). doi: 10.1093/bib/bbad120.
6
Using quantitative systems pharmacology for novel drug discovery.运用定量系统药理学进行新药研发。
Expert Opin Drug Discov. 2015 Dec;10(12):1315-31. doi: 10.1517/17460441.2015.1082543. Epub 2015 Aug 25.
7
Artificial intelligence in early drug discovery enabling precision medicine.人工智能在早期药物发现中实现精准医学。
Expert Opin Drug Discov. 2021 Sep;16(9):991-1007. doi: 10.1080/17460441.2021.1918096. Epub 2021 Jun 2.
8
Model-Informed Artificial Intelligence: Reinforcement Learning for Precision Dosing.模型驱动人工智能:精准剂量的强化学习。
Clin Pharmacol Ther. 2020 Apr;107(4):853-857. doi: 10.1002/cpt.1777. Epub 2020 Feb 23.
9
A Perspective on Implementing a Quantitative Systems Pharmacology Platform for Drug Discovery and the Advancement of Personalized Medicine.关于实施用于药物发现和推进个性化医疗的定量系统药理学平台的观点。
J Biomol Screen. 2016 Jul;21(6):521-34. doi: 10.1177/1087057116635818. Epub 2016 Mar 8.
10
Functional protein micropatterning for drug design and discovery.用于药物设计与发现的功能性蛋白质微图案化
Expert Opin Drug Discov. 2016;11(1):105-19. doi: 10.1517/17460441.2016.1109625. Epub 2015 Dec 1.

引用本文的文献

1
From Lab to Clinic: How Artificial Intelligence (AI) Is Reshaping Drug Discovery Timelines and Industry Outcomes.从实验室到临床:人工智能如何重塑药物研发时间表和行业成果。
Pharmaceuticals (Basel). 2025 Jun 30;18(7):981. doi: 10.3390/ph18070981.
2
Leveraging machine learning models in evaluating ADMET properties for drug discovery and development.利用机器学习模型评估药物发现与开发中的ADMET性质。
ADMET DMPK. 2025 Jun 7;13(3):2772. doi: 10.5599/admet.2772. eCollection 2025.
3
Applications of artificial intelligence in drug discovery for neurological diseases.人工智能在神经疾病药物研发中的应用。
Neurotherapeutics. 2025 Jul;22(4):e00624. doi: 10.1016/j.neurot.2025.e00624. Epub 2025 Jun 17.
4
Reinforcement Learning in Personalized Medicine: A Comprehensive Review of Treatment Optimization Strategies.个性化医疗中的强化学习:治疗优化策略的全面综述
Cureus. 2025 Apr 21;17(4):e82756. doi: 10.7759/cureus.82756. eCollection 2025 Apr.
5
Integrating artificial intelligence in drug discovery and early drug development: a transformative approach.将人工智能整合到药物发现和早期药物开发中:一种变革性方法。
Biomark Res. 2025 Mar 14;13(1):45. doi: 10.1186/s40364-025-00758-2.
6
Deep Learning Combined with Quantitative Structure‒Activity Relationship Accelerates De Novo Design of Antifungal Peptides.深度学习结合定量构效关系加速抗真菌肽的从头设计。
Adv Sci (Weinh). 2025 Apr;12(13):e2412488. doi: 10.1002/advs.202412488. Epub 2025 Feb 8.
7
The Millennia-Long Development of Drugs Associated with the 80-Year-Old Artificial Intelligence Story: The Therapeutic Big Bang?与有 80 年历史的人工智能故事相关的药物的千年发展:治疗大爆炸?
Molecules. 2024 Jun 7;29(12):2716. doi: 10.3390/molecules29122716.
8
Hierarchical multi-omics data integration and modeling predict cell-specific chemical proteomics and drug responses.层次化多组学数据整合和建模预测细胞特异性化学蛋白质组学和药物反应。
Cell Rep Methods. 2023 Apr 17;3(4):100452. doi: 10.1016/j.crmeth.2023.100452. eCollection 2023 Apr 24.
9
Computer-aided multi-objective optimization in small molecule discovery.小分子发现中的计算机辅助多目标优化
Patterns (N Y). 2023 Feb 10;4(2):100678. doi: 10.1016/j.patter.2023.100678.

本文引用的文献

1
COVID-19 Multi-Targeted Drug Repurposing Using Few-Shot Learning.利用少样本学习进行COVID-19多靶点药物重新利用
Front Bioinform. 2021 Jun 15;1:693177. doi: 10.3389/fbinf.2021.693177. eCollection 2021.
2
Drug Design Using Reinforcement Learning with Graph-Based Deep Generative Models.基于图的深度生成模型的强化学习药物设计。
J Chem Inf Model. 2022 Oct 24;62(20):4863-4872. doi: 10.1021/acs.jcim.2c00838. Epub 2022 Oct 11.
3
AI-Aided Design of Novel Targeted Covalent Inhibitors against SARS-CoV-2.人工智能辅助设计新型靶向 SARS-CoV-2 的共价抑制剂。
Biomolecules. 2022 May 25;12(6):746. doi: 10.3390/biom12060746.
4
De novo generation of dual-target ligands using adversarial training and reinforcement learning.使用对抗训练和强化学习生成双靶配体。
Brief Bioinform. 2021 Nov 5;22(6). doi: 10.1093/bib/bbab333.
5
Accurate prediction of protein structures and interactions using a three-track neural network.使用三轨神经网络准确预测蛋白质结构和相互作用。
Science. 2021 Aug 20;373(6557):871-876. doi: 10.1126/science.abj8754. Epub 2021 Jul 15.
6
Highly accurate protein structure prediction with AlphaFold.利用 AlphaFold 进行高精度蛋白质结构预测。
Nature. 2021 Aug;596(7873):583-589. doi: 10.1038/s41586-021-03819-2. Epub 2021 Jul 15.
7
Biology begins to tangle with quantum computing.生物学开始与量子计算交织在一起。
Nat Methods. 2021 Jul;18(7):715-719. doi: 10.1038/s41592-021-01199-z.
8
A deep learning framework for high-throughput mechanism-driven phenotype compound screening and its application to COVID-19 drug repurposing.一种用于高通量机制驱动的表型化合物筛选的深度学习框架及其在新冠病毒药物再利用中的应用。
Nat Mach Intell. 2021 Mar;3(3):247-257. doi: 10.1038/s42256-020-00285-9. Epub 2021 Feb 1.
9
MSA-Regularized Protein Sequence Transformer toward Predicting Genome-Wide Chemical-Protein Interactions: Application to GPCRome Deorphanization.基于 MSA-Regularized 蛋白质序列转换器的全基因组化学蛋白质相互作用预测:在 GPCRome 去孤儿化中的应用。
J Chem Inf Model. 2021 Apr 26;61(4):1570-1582. doi: 10.1021/acs.jcim.0c01285. Epub 2021 Mar 23.
10
Diversity oriented Deep Reinforcement Learning for targeted molecule generation.用于靶向分子生成的面向多样性的深度强化学习
J Cheminform. 2021 Mar 9;13(1):21. doi: 10.1186/s13321-021-00498-z.

基于系统药理学和个性化药物设计的强化学习。

Reinforcement learning for systems pharmacology-oriented and personalized drug design.

机构信息

Department of Computer Science, Hunter College, The City University of New York, New York, New York, USA.

Program in Computer Science, Biology & Biochemistry, The Graduate Center, The City University of New York, New York, New York, USA.

出版信息

Expert Opin Drug Discov. 2022 Aug;17(8):849-863. doi: 10.1080/17460441.2022.2072288. Epub 2022 Aug 5.

DOI:10.1080/17460441.2022.2072288
PMID:35510835
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC9824901/
Abstract

INTRODUCTION

Many multi-genic systemic diseases such as neurological disorders, inflammatory diseases, and the majority of cancers do not have effective treatments yet. Reinforcement learning powered systems pharmacology is a potentially effective approach to designing personalized therapies for untreatable complex diseases.

AREAS COVERED

In this survey, state-of-the-art reinforcement learning methods and their latest applications to drug design are reviewed. The challenges on harnessing reinforcement learning for systems pharmacology and personalized medicine are discussed. Potential solutions to overcome the challenges are proposed.

EXPERT OPINION

In spite of successful application of advanced reinforcement learning techniques to target-based drug discovery, new reinforcement learning strategies are needed to address systems pharmacology-oriented personalized drug design.

摘要

简介

许多多基因系统性疾病,如神经紊乱、炎症性疾病和大多数癌症,目前尚无有效的治疗方法。强化学习驱动的系统药理学是为无法治疗的复杂疾病设计个性化疗法的一种潜在有效方法。

涵盖领域

本文综述了最新的强化学习方法及其在药物设计中的最新应用。讨论了在系统药理学和个性化医学中利用强化学习面临的挑战。提出了潜在的解决方案来克服这些挑战。

专家意见

尽管先进的强化学习技术已成功应用于基于靶点的药物发现,但仍需要新的强化学习策略来解决面向系统药理学的个性化药物设计问题。