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

Molecular Shapes01:18

Molecular Shapes

61.1K
Molecules have characteristic shapes that are crucial for their function. The arrangement of various electron groups around the central atom dictates their molecular geometry. Electron pairs in the valence shell of a central atom will adopt an arrangement that minimizes repulsions between the electron pairs by maximizing the distance between them. The valence electrons form either bonding pairs, located primarily between bonded atoms, or lone pairs.
Two regions of electron density in a diatomic...
61.1K
What is Organic Chemistry?02:17

What is Organic Chemistry?

87.4K
Organic chemistry is the study of compounds of carbon called organic compounds. Organic compounds either originate from living organisms or are synthesized by chemists. A defining trait of these compounds is the presence of carbon as the principal element, which is bonded to other carbon atoms and other elements such as hydrogen, oxygen, nitrogen, and sulfur. The existence of a wide array of organic molecules is a consequence of carbon atoms’ ability to form up to four strong bonds to...
87.4K
Polymer Classification: Stereospecificity01:26

Polymer Classification: Stereospecificity

3.1K
Polymerization generates chiral centers along the entire backbone of a polymer chain. Accordingly, the stereochemistry of the substituent group has a significant effect on polymer properties. Polymers formed from monosubstituted alkene monomers feature chiral carbons at every alternate position in the polymer backbone. Relative to the predominant orientation of substituents at the adjacent chiral carbons, the polymer can exist in three different configurations: isotactic, syndiotactic, and...
3.1K
Molecular Models02:00

Molecular Models

43.3K
Physical models representing molecular architectures of chemical compounds play essential roles in understanding chemistry. The use of molecular models makes it easier to visualize the structures and shapes of atoms and molecules.
43.3K
Polymer Classification: Architecture01:14

Polymer Classification: Architecture

3.6K
Polymers are classified as linear or branched on the basis of their chain architecture. The polymer chains in linear polymers have a long chain-like structure with minimal to no branching at all. Even if a polymer features large substituent groups on the monomer, which appear as branches to the skeleton, it is not considered a branched polymer. A branched polymer contains secondary polymer chains that arise from the main polymer chain. The branching occurs when the polymer growth shifts from...
3.6K
Organic Compounds03:02

Organic Compounds

56.0K
All living things are formed mostly of carbon compounds called organic compounds. The category of organic compounds includes both natural and synthetic compounds that contain carbon. Although a single, precise definition has yet to be identified by the chemistry community, most agree that a defining trait of organic molecules is the presence of carbon as the principal element, bonded to hydrogen and other carbon atoms. However, some carbon-containing compounds such as carbonates, cyanides, and...
56.0K

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

PegaPlus─Interactive Machine Learning by Human Observation for Efficient Clustering and Analysis of Structure-Activity Data.

Journal of chemical information and modeling·2026
Same author

Integrating <sup>19</sup>Focused Screening with Make-On-Demand Chemical Spaces for Enhanced Fragment Follow-Up.

ChemMedChem·2026
Same author

Enabling Automatic Generation of Protein-Ligand Complex Data Sets with Atomistic Detail.

Journal of chemical information and modeling·2026
Same author

Guiding Similarity Search in Chemical Fragment Spaces with Weighted Fingerprints.

Journal of chemical information and modeling·2026
Same author

ActivityFinder: Toward the Fully Automatic Integration of Structural and Binding Affinity Data.

Journal of chemical information and modeling·2026
Same author

A bottom-up approach to find lead compounds in expansive chemical spaces.

Communications chemistry·2025
Same journal

PFASGroups: An Open-Source Framework for Automated Identification, Structural Classification, and Prioritization of Per- and Polyfluoroalkyl Substances.

Journal of chemical information and modeling·2026
Same journal

DeepKbhb: Context-Aware Prediction of Human Lysine β-Hydroxybutyrylation Sites.

Journal of chemical information and modeling·2026
Same journal

HyperDC: A Non-Uniform Hypergraph Framework for Dual- and Higher-Order Drug Combination Recommendation Across Diverse Complex Diseases.

Journal of chemical information and modeling·2026
Same journal

Correction to "AstraMEV (AI-Guided Structural Assembly of Multi-Epitope Vaccines) Against Infectious Bronchitis Virus".

Journal of chemical information and modeling·2026
Same journal

MolPy: A Large Language Model-Friendly Toolkit for Reactive Topology Editing in Polymer Simulations.

Journal of chemical information and modeling·2026
Same journal

Molecular Mechanisms of KIT Receptor Dimerization and Oncogenic Activation Revealed by Multiscale Simulations.

Journal of chemical information and modeling·2026
查看所有相关文章

相关实验视频

Updated: Jan 6, 2026

Versatile CO2 Transformations into Complex Products: A One-pot Two-step Strategy
07:36

Versatile CO2 Transformations into Complex Products: A One-pot Two-step Strategy

Published on: November 9, 2019

8.3K

智能化学 - 简化关于有机化学结构的沟通

Torben Gutermuth1, Patrick Penner1, Jochen Sieg1

  • 1ZBH─Center for Bioinformatics, University of Hamburg, Albert Einstein Ring 8-10, 22761 Hamburg, Germany.

Journal of chemical information and modeling
|June 9, 2025
PubMed
概括
此摘要是机器生成的。

对跨学科的科学家来说,导航复杂的有机化学命名法是具有挑战性的. 新的SmartChemist网络工具通过识别和命名分子子结构来简化化学结构通信.

更多相关视频

Applying Cheminformatics to Develop a Structure Searchable Database of Analytical Methods
05:34

Applying Cheminformatics to Develop a Structure Searchable Database of Analytical Methods

Published on: June 6, 2025

1.5K
Qualitative Identification of Carboxylic Acids, Boronic Acids, and Amines Using Cruciform Fluorophores
09:46

Qualitative Identification of Carboxylic Acids, Boronic Acids, and Amines Using Cruciform Fluorophores

Published on: August 19, 2013

16.0K

相关实验视频

Last Updated: Jan 6, 2026

Versatile CO2 Transformations into Complex Products: A One-pot Two-step Strategy
07:36

Versatile CO2 Transformations into Complex Products: A One-pot Two-step Strategy

Published on: November 9, 2019

8.3K
Applying Cheminformatics to Develop a Structure Searchable Database of Analytical Methods
05:34

Applying Cheminformatics to Develop a Structure Searchable Database of Analytical Methods

Published on: June 6, 2025

1.5K
Qualitative Identification of Carboxylic Acids, Boronic Acids, and Amines Using Cruciform Fluorophores
09:46

Qualitative Identification of Carboxylic Acids, Boronic Acids, and Amines Using Cruciform Fluorophores

Published on: August 19, 2013

16.0K

科学领域:

  • 化学 化学 化学
  • 生物信息学是一种生物信息学.
  • 计算科学 计算科学

背景情况:

  • 跨学科的科学合作面临的沟通障碍是由于专门的术语,如有机化学命名法.
  • 有机化学命名法虽然对化学家来说是有效的,但对于生物学,药理学,医学,计算机科学和数学等相关领域的专家来说,它具有的学习曲线.
  • 这种沟通差距可能会阻碍生产力,并在不同的研究小组中引入错误.

研究的目的:

  • 开发一个用户友好的网络工具,SmartChemist,以促进不同背景的科学家之间的化学结构的清晰沟通.
  • 在跨学科的研究环境中弥合有关有机化学命名的知识差距.

主要方法:

  • 智能化学家工具接受分子文件或简化分子输入线输入系统 (SMILES) 字符串作为输入.
  • 它使用一个包含超过4万个策划模式的综合数据库来识别特定的分子亚结构.
  • 该工具显示已识别的子结构,包括循环结构,功能组和生物相关分子,优先考虑最具体的匹配.

主要成果:

  • 智能化学成功地从用户提供的化学数据中识别和命名各种分子亚结构.
  • 该工具提供了关于化学成分的清晰和易于访问的信息,帮助不熟悉复杂命名的用户.
  • 它提供了灵活性,允许用户在最具体的基础结构之外探索所有已识别的子结构.

结论:

  • 在跨学科的研究中,SmartChemist有效地增强了关于化学结构的沟通.
  • 该工具使非化学背景的科学家能够更好地理解和讨论分子信息.
  • 通过简化化学命名解释,SmartChemist促进了更具生产力和准确的协作研究.