• 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

机器学习在药物研发中的积极作用。

An active role for machine learning in drug development.

机构信息

Lane Center for Computational Biology and the Department of Biological Sciences, Carnegie Mellon University, Pittsburgh, Pennsylvania, USA.

出版信息

Nat Chem Biol. 2011 Jun;7(6):327-30. doi: 10.1038/nchembio.576.

DOI:10.1038/nchembio.576
PMID:21587249
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC4107394/
Abstract

Due to the complexity of biological systems, cutting-edge machine-learning methods will be critical for future drug development. In particular, machine-vision methods to extract detailed information from imaging assays and active-learning methods to guide experimentation will be required to overcome the dimensionality problem in drug development.

摘要

由于生物系统的复杂性,最先进的机器学习方法对于未来的药物开发至关重要。特别是,需要机器视觉方法从成像分析中提取详细信息,以及主动学习方法来指导实验,以克服药物开发中的维度问题。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3d34/4107394/5ba6a1d74b7a/nihms-494619-f0002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3d34/4107394/c2cfd818b6e9/nihms-494619-f0001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3d34/4107394/5ba6a1d74b7a/nihms-494619-f0002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3d34/4107394/c2cfd818b6e9/nihms-494619-f0001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3d34/4107394/5ba6a1d74b7a/nihms-494619-f0002.jpg

相似文献

1
An active role for machine learning in drug development.机器学习在药物研发中的积极作用。
Nat Chem Biol. 2011 Jun;7(6):327-30. doi: 10.1038/nchembio.576.
2
From machine learning to deep learning: progress in machine intelligence for rational drug discovery.从机器学习到深度学习:用于理性药物发现的机器智能的进展。
Drug Discov Today. 2017 Nov;22(11):1680-1685. doi: 10.1016/j.drudis.2017.08.010. Epub 2017 Sep 4.
3
Intelligently Applying Artificial Intelligence in Chemoinformatics.智能化地将人工智能应用于化学信息学中。
Curr Top Med Chem. 2018;18(20):1804-1826. doi: 10.2174/1568026619666181120150938.
4
Artificial intelligence in drug discovery.药物研发中的人工智能
Future Med Chem. 2018 Sep 1;10(17):2025-2028. doi: 10.4155/fmc-2018-0212. Epub 2018 Aug 13.
5
Concepts of Artificial Intelligence for Computer-Assisted Drug Discovery.人工智能在计算机辅助药物发现中的概念。
Chem Rev. 2019 Sep 25;119(18):10520-10594. doi: 10.1021/acs.chemrev.8b00728. Epub 2019 Jul 11.
6
Closed-loop discovery platform integration is needed for artificial intelligence to make an impact in drug discovery.人工智能要在药物研发中发挥作用,就需要闭环发现平台集成。
Expert Opin Drug Discov. 2019 Jan;14(1):1-4. doi: 10.1080/17460441.2019.1546690. Epub 2018 Nov 29.
7
Catalyzing innovation in cancer drug discovery through artificial intelligence, machine learning and patency.通过人工智能、机器学习和专利推动癌症药物研发创新。
Pharm Pat Anal. 2024;13(1-3):1-5. doi: 10.1080/20468954.2024.2347798. Epub 2024 May 21.
8
Could advances in representation learning in Artificial Intelligence provide the new paradigm for data integration in drug discovery?人工智能中表示学习的进展能否为药物发现中的数据整合提供新范式?
Expert Opin Drug Discov. 2019 Mar;14(3):191-194. doi: 10.1080/17460441.2019.1573811. Epub 2019 Jan 30.
9
Rethinking Drug Repositioning and Development with Artificial Intelligence, Machine Learning, and Omics.利用人工智能、机器学习和组学重新思考药物重定位和开发。
OMICS. 2019 Nov;23(11):539-548. doi: 10.1089/omi.2019.0151. Epub 2019 Oct 25.
10
The convergence of artificial intelligence and chemistry for improved drug discovery.人工智能与化学相结合以改进药物发现。
Future Med Chem. 2018 Nov;10(22):2573-2576. doi: 10.4155/fmc-2018-0161. Epub 2018 Nov 30.

引用本文的文献

1
QSPRmodeler - An open source application for molecular predictive analytics.QSPR建模器 - 一款用于分子预测分析的开源应用程序。
Front Bioinform. 2024 Sep 23;4:1441024. doi: 10.3389/fbinf.2024.1441024. eCollection 2024.
2
Systematic data analysis pipeline for quantitative morphological cell phenotyping.用于定量形态学细胞表型分析的系统数据分析流程。
Comput Struct Biotechnol J. 2024 Jul 14;23:2949-2962. doi: 10.1016/j.csbj.2024.07.012. eCollection 2024 Dec.
3
Network Medicine: A Potential Approach for Virtual Drug Screening.

本文引用的文献

1
Image-derived, three-dimensional generative models of cellular organization.基于图像的细胞组织三维生成模型。
Cytometry A. 2011 May;79(5):383-91. doi: 10.1002/cyto.a.21066. Epub 2011 Apr 6.
2
Impact of high-throughput screening in biomedical research.高通量筛选在生物医学研究中的影响。
Nat Rev Drug Discov. 2011 Mar;10(3):188-95. doi: 10.1038/nrd3368.
3
Drug profiling: knowing where it hits.药物分析:了解作用部位。
网络医学:虚拟药物筛选的一种潜在方法。
Pharmaceuticals (Basel). 2024 Jul 6;17(7):899. doi: 10.3390/ph17070899.
4
Active learning streamlines development of high performance catalysts for higher alcohol synthesis.主动学习简化了用于合成高级醇的高性能催化剂的开发。
Nat Commun. 2024 Jul 11;15(1):5844. doi: 10.1038/s41467-024-50215-1.
5
A Comprehensive Investigation of Active Learning Strategies for Conducting Anti-Cancer Drug Screening.用于进行抗癌药物筛选的主动学习策略的综合研究。
Cancers (Basel). 2024 Jan 26;16(3):530. doi: 10.3390/cancers16030530.
6
Development and evaluation of a java-based deep neural network method for drug response predictions.一种基于Java的用于药物反应预测的深度神经网络方法的开发与评估。
Front Artif Intell. 2023 Mar 23;6:1069353. doi: 10.3389/frai.2023.1069353. eCollection 2023.
7
In Silico Structural and Functional Analyses of NLRP3 Inflammasomes to Provide Insights for Treating Neurodegenerative Diseases.基于 NLRP3 炎性小体的结构和功能的计算分析为治疗神经退行性疾病提供新视角。
Biomed Res Int. 2023 Jan 23;2023:9819005. doi: 10.1155/2023/9819005. eCollection 2023.
8
A Framework for the Comparison of Agent-based Models.基于主体模型的比较框架。
Auton Agent Multi Agent Syst. 2022 Oct;36(2). doi: 10.1007/s10458-022-09559-5. Epub 2022 May 11.
9
DeepPROTACs is a deep learning-based targeted degradation predictor for PROTACs.DeepPROTACs 是一种基于深度学习的 PROTACs 靶向降解预测器。
Nat Commun. 2022 Nov 21;13(1):7133. doi: 10.1038/s41467-022-34807-3.
10
Autonomous materials synthesis via hierarchical active learning of nonequilibrium phase diagrams.通过非平衡相图的分层主动学习实现自主材料合成。
Sci Adv. 2021 Dec 17;7(51):eabg4930. doi: 10.1126/sciadv.abg4930.
Drug Discov Today. 2010 Sep;15(17-18):749-56. doi: 10.1016/j.drudis.2010.06.006. Epub 2010 Jun 18.
4
Automated image analysis for high-content screening and analysis.用于高内涵筛选和分析的自动化图像分析
J Biomol Screen. 2010 Aug;15(7):726-34. doi: 10.1177/1087057110370894. Epub 2010 May 20.
5
Active learning for human protein-protein interaction prediction.基于主动学习的人类蛋白质-蛋白质相互作用预测。
BMC Bioinformatics. 2010 Jan 18;11 Suppl 1(Suppl 1):S57. doi: 10.1186/1471-2105-11-S1-S57.
6
A generative model of microtubule distributions, and indirect estimation of its parameters from fluorescence microscopy images.微管分布的生成模型,及其从荧光显微镜图像中对其参数的间接估计。
Cytometry A. 2010 May;77(5):457-66. doi: 10.1002/cyto.a.20854.
7
Predicting positive p53 cancer rescue regions using Most Informative Positive (MIP) active learning.使用最具信息性阳性(MIP)主动学习预测p53癌症救援阳性区域。
PLoS Comput Biol. 2009 Sep;5(9):e1000498. doi: 10.1371/journal.pcbi.1000498. Epub 2008 Sep 4.
8
Cellular systems biology profiling applied to cellular models of disease.应用于疾病细胞模型的细胞系统生物学分析
Comb Chem High Throughput Screen. 2009 Nov;12(9):838-48. doi: 10.2174/138620709789383286.
9
Predicting and understanding the stability of G-quadruplexes.预测和理解G-四链体的稳定性。
Bioinformatics. 2009 Jun 15;25(12):i374-82. doi: 10.1093/bioinformatics/btp210.
10
Virtual screening system for finding structurally diverse hits by active learning.通过主动学习寻找结构多样的命中物的虚拟筛选系统。
J Chem Inf Model. 2008 Apr;48(4):930-40. doi: 10.1021/ci700085q. Epub 2008 Mar 20.