Jove
Visualize
Contact Us
JoVE
x logofacebook logolinkedin logoyoutube logo
ABOUT JoVE
OverviewLeadershipBlogJoVE Help Center
AUTHORS
Publishing ProcessEditorial BoardScope & PoliciesPeer ReviewFAQSubmit
LIBRARIANS
TestimonialsSubscriptionsAccessResourcesLibrary Advisory BoardFAQ
RESEARCH
JoVE JournalMethods CollectionsJoVE Encyclopedia of ExperimentsArchive
EDUCATION
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab ManualFaculty Resource CenterFaculty Site
Terms & Conditions of Use
Privacy Policy
Policies

Related Concept Videos

Molecular Models02:00

Molecular Models

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.
Chemical Symbols01:09

Chemical Symbols

A chemical symbol is an abbreviation that is used to indicate an element or an atom of an element. For example, the symbol for mercury is Hg. We use the same symbol to indicate one atom of mercury (microscopic domain) or to label a container of many atoms of the element mercury (macroscopic domain).
Some symbols are derived from the common name of the element; others are abbreviations of the name in another language. Most symbols have one or two letters, but three-letter symbols have been used...
Lewis Structures of Molecular Compounds and Polyatomic Ions02:54

Lewis Structures of Molecular Compounds and Polyatomic Ions

To draw Lewis structures for complicated molecules and molecular ions, it is helpful to follow a step-by-step procedure as outlined:
Chemical Formulas02:52

Chemical Formulas

A chemical formula presents information about the proportions of atoms constituting a particular chemical compound or molecule, mainly using symbols of elements and numbers. At times other symbols, such as dashes, parentheses, brackets, commas, plus, and minus signs, are also used. A chemical formula can be one of three types – molecular, empirical, and structural.
Cell Diagrams and IUPAC Conventions01:21

Cell Diagrams and IUPAC Conventions

Electrochemical cell notation is a standardized symbolic representation that communicates the structure and reaction pathway of galvanic and electrolytic cells. This notation plays a critical role in describing redox reactions and electrochemical cell configurations without the need for detailed diagrams.In electrochemical cell notation, a single vertical line “|” denotes a phase boundary, such as between a solid electrode and an aqueous solution. A double vertical line “||” represents a salt...
Structural Isomerism02:34

Structural Isomerism

Isomerism in Complexes
Isomers are different chemical species that have the same chemical formula. Structural isomerism of coordination compounds can be divided into two subcategories, the linkage isomers and coordination-sphere isomers.
Linkage isomers occur when the coordination compound contains a ligand that can bind to the transition metal center through two different atoms. For example, the CN− ligand can bind through the carbon atom or through the nitrogen atom. Similarly, SCN− can be...

You might also read

Related Articles

Articles linked to this work by shared authors, journal, and citation graph.

Sort by
Same author

Engineering Zeolite Synthesis for the Green Energy Transformation.

JACS Au·2026
Same author

Unveiling the Structural Factors Governing the Diffusion of Ethene in Small-Pore Zeolites through Machine Learning.

The journal of physical chemistry letters·2025
Same author

Grand Canonical Monte Carlo Simulations for Hydrogen Adsorption on Metal Surfaces Using Neural Network Potentials.

Journal of chemical theory and computation·2025
Same author

Drawing boundaries between feasible and unfeasible zeolite intergrowths using high-throughput computational screening with synthesis validation.

Nature materials·2025
Same author

Focused thermal energy at atomic microwave antenna sites for ecocatalysis.

Science advances·2025
Same author

Conformational constraints in [Ni(P<sup>R</sup> <sub>2</sub>N<sup>R'</sup> <sub>2</sub>)<sub>2</sub>] complexes for tuning H<sub>2</sub> production and oxidation: a DFT-based ligand design study.

RSC advances·2025

Related Experiment Video

Updated: Jun 27, 2026

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

Universal graph-based identifiers of chemical structures for linking large material databases.

Koki Muraoka1, Taku Tanimoto2, Tsubasa Munekata2

  • 1Department of Chemical System Engineering, The University of Tokyo, Bunkyo-ku, Tokyo, Japan. muraok_k@chemsys.t.u-tokyo.ac.jp.

Nature Communications
|June 25, 2026
PubMed
Summary
This summary is machine-generated.

A new Graph ID system offers a universal identifier for chemical structures, improving materials database efficiency. This innovation accelerates materials simulations and data analysis for researchers.

Related Experiment Videos

Last Updated: Jun 27, 2026

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

Area of Science:

  • Materials Science
  • Computational Chemistry
  • Data Science

Background:

  • Computational materials databases are rapidly expanding due to advances in computing power and algorithms.
  • Efficient utilization of these databases is hindered by the absence of universal chemical structure identifiers.

Purpose of the Study:

  • To introduce a novel universal identifier for chemical structures, named Graph ID.
  • To address the limitations in current materials database utilization.

Main Methods:

  • Developed Graph ID based on chemically intuitive atomic distances.
  • Implemented a novel node labeling scheme for structure representation.
  • Ensured scalability and accuracy in differentiating distinct materials.

Main Results:

  • Graph ID accurately differentiates structurally distinct materials.
  • The identifier is applicable to diverse chemical structures, including bulk crystals, surfaces, and molecules.
  • The Graph ID generation code is released as open-source software.

Conclusions:

  • Graph ID provides a scalable and accurate solution for universal chemical structure identification.
  • The open-source availability of Graph ID will accelerate materials simulations and data analysis.
  • This advancement facilitates more efficient use of computational materials databases.