Jove
Visualize
联系我们
JoVE
x logofacebook logolinkedin logoyoutube logo
关于 JoVE
概览领导团队博客JoVE 帮助中心
作者
出版流程编辑委员会范围与政策同行评审常见问题投稿
图书馆员
用户评价订阅访问资源图书馆顾问委员会常见问题
研究
JoVE JournalMethods CollectionsJoVE Encyclopedia of Experiments存档
教育
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab Manual教师资源中心教师网站
使用条款与条件
隐私政策
政策

相关概念视频

Random Sampling Method01:09

Random Sampling Method

14.1K
Sampling is a technique to select a portion (or subset) of the larger population and study that portion (the sample) to gain information about the population. Data are the result of sampling from a population. The sampling method ensures that samples are drawn without bias and accurately represent the population. Because measuring the entire population in a study is not practical, researchers use samples to represent the population of interest. Among the various sampling methods used by...
14.1K

您也可能阅读

相关文章

通过共同作者、期刊和引用图与本文相关的文章。

排序
Same author

TRPV4: A Promising Therapeutic Target Ion Channel─Discovery of Ultrapotent Selective Antagonists.

Journal of medicinal chemistry·2026
Same author

Burden and trends of chronic kidney disease due to type 2 diabetes mellitus in China and G20 countries, 1990-2023: a comparative analysis.

Frontiers in endocrinology·2026
Same author

The GmCYCLOPS paralogs regulate soybean nodulation and exhibit signatures during domestication.

Plant science : an international journal of experimental plant biology·2026
Same author

Linker-Driven Sampling of PROTAC-Induced Ternary Complexes.

Journal of medicinal chemistry·2026
Same author

Mapping the avoid-ome: a systematic open-science approach to predictive ADMET.

Nature communications·2026
Same author

From KRAS<sup><i>G12D</i></sup> to Pan-KRAS Inhibitors─A Journey Enabled by Synthetic Innovation and Structure-Based Drug Design.

Journal of medicinal chemistry·2026

相关实验视频

Updated: Jan 15, 2026

Efficient Sampling of Genetically Encoded Biosensor Design Space Enabled with a Design of Experiments and Automation Workflow
08:58

Efficient Sampling of Genetically Encoded Biosensor Design Space Enabled with a Design of Experiments and Automation Workflow

Published on: October 17, 2025

602

通过轮盘选择进行增强的普森抽样,用于选超大组合图书馆.

Hongtao Zhao1, Eva Nittinger2, Melissa A Yu3

  • 1Medicinal Chemistry, Research and Early Development, Respiratory and Immunology (R&I), BioPharmaceuticals R&D, AstraZeneca, 43183, Gothenburg, Sweden. hongtao.zhao@astrazeneca.com.

Journal of cheminformatics
|October 14, 2025
PubMed
概括

这项研究引入了一种探索广化学空间的新方法,通过平衡探索和开发来改善药物发现的化合物选择. 该方法提高了虚拟图书馆选的效率,用于识别有前途的药物候选者.

关键词:
化学空间 化学空间组合式图书馆是一个组合式的图书馆.普森采样采样 普森采样超大的图书馆.虚拟选是一个虚拟的选.

更多相关视频

Competitive Genomic Screens of Barcoded Yeast Libraries
11:59

Competitive Genomic Screens of Barcoded Yeast Libraries

Published on: August 11, 2011

18.7K
Pooled CRISPR-Based Genetic Screens in Mammalian Cells
09:05

Pooled CRISPR-Based Genetic Screens in Mammalian Cells

Published on: September 4, 2019

23.1K

相关实验视频

Last Updated: Jan 15, 2026

Efficient Sampling of Genetically Encoded Biosensor Design Space Enabled with a Design of Experiments and Automation Workflow
08:58

Efficient Sampling of Genetically Encoded Biosensor Design Space Enabled with a Design of Experiments and Automation Workflow

Published on: October 17, 2025

602
Competitive Genomic Screens of Barcoded Yeast Libraries
11:59

Competitive Genomic Screens of Barcoded Yeast Libraries

Published on: August 11, 2011

18.7K
Pooled CRISPR-Based Genetic Screens in Mammalian Cells
09:05

Pooled CRISPR-Based Genetic Screens in Mammalian Cells

Published on: September 4, 2019

23.1K

科学领域:

  • 计算化学是一种计算化学.
  • 药品化学 药品化学 是一个
  • 药物发现 药物发现

背景情况:

  • 探索广的化学空间对于识别新药候选药物至关重要.
  • 目前用于从超大虚拟库中选择组合物的方法在效率方面面临挑战,特别是在成功扩展期间.
  • 普森采样提供了一种概率方法来优化试剂空间中的搜索.

研究的目的:

  • 解决化学空间探索现有概率性搜索方法的局限性.
  • 开发一种改进的方法,从大型虚拟库中选择合适的组合.
  • 为了平衡贪的搜索与多样性驱动的探索,以实现更有效的打击扩张.

主要方法:

  • 介绍了一种轮盘选择方法.
  • 整合热循环方法来平衡勘探战略.
  • 使用109个查询与20个具有100万个化合物库的ROCS (化学结构的快速叠加) 库进行验证.

主要成果:

  • 拟议方法在复杂的化学空间中导航的证明有效性.
  • 在多样化和大规模的虚拟复合库中成功应用.
  • 与标准方法相比,化合物选择效率提高.

结论:

  • 轮盘轮和热循环方法的结合为有效的化学空间探索提供了一个强大的战略.
  • 这种方法增强了对药物发现管道有前途的化合物的识别.
  • 该方法为优化虚拟选中的击中扩展提供了一个有价值的工具.