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 Comparison of Gases, Liquids, and Solids02:26

Molecular Comparison of Gases, Liquids, and Solids

Particles in a solid are tightly packed together (fixed shape) and often arranged in a regular pattern; in a liquid, they are close together with no regular arrangement (no fixed shape); in a gas, they are far apart with no regular arrangement (no fixed shape). Particles in a solid vibrate about fixed positions (cannot flow) and do not generally move in relation to one another; in a liquid, they move past each other (can flow) but remain in essentially constant contact; in a gas, they move...
The Small x Assumption02:20

The Small x Assumption

If a reaction has a small equilibrium constant, the equilibrium position favors the reactants. In such reactions, a negligible change in concentration may occur if the initial concentrations of reactants are high and the Kc value is small. In such circumstances, the equilibrium concentration is approximately equal to its initial concentration. This estimation can be used to simplify the equilibrium calculations by assuming that some equilibrium concentrations are equal to the initial...
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.
Molecular Geometry and Dipole Moments02:36

Molecular Geometry and Dipole Moments

The VSEPR theory can be used to determine the electron pair geometries and molecular structures as follows:
Network Covalent Solids02:18

Network Covalent Solids

Network covalent solids contain a three-dimensional network of covalently bonded atoms as found in the crystal structures of nonmetals like diamond, graphite, silicon, and some covalent compounds, such as silicon dioxide (sand) and silicon carbide (carborundum, the abrasive on sandpaper). Many minerals have networks of covalent bonds.
To break or to melt a covalent network solid, covalent bonds must be broken. Because covalent bonds are relatively strong, covalent network solids are typically...
Chemical Shift: Internal References and Solvent Effects01:17

Chemical Shift: Internal References and Solvent Effects

In an NMR sample, precise measurement of the absolute absorption frequencies of nuclei is difficult. A standard internal reference compound is added, and the frequency difference between the reference signal and sample signals is measured.
The internal reference compound generally used in NMR spectroscopy is tetramethylsilane (TMS). TMS is preferred because it is chemically inert, soluble in NMR solvents, and easily removable. Also, the highly shielded methyl protons in TMS yield an intense...

You might also read

Related Articles

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

Sort by
Same author

Training for the Digital Clinical Environment: Preliminary Findings in Implementation of Electronic Health Record Platform in Medical Education.

Journal of medical systems·2026
Same author

Flaxseed globulin versus albumin proteins - Interfacial assembly and nonlinear rheology at the air-water interface.

Journal of colloid and interface science·2026
Same author

Trends in Obesity, Overweight, and Attempted Weight Loss Among United States High School Students.

Ochsner journal·2026
Same author

MACE foundation models for lattice dynamics: a benchmark study on double halide perovskites.

Physical chemistry chemical physics : PCCP·2026
Same author

The Effect of Whey Peptides and Micronutrients on Improving Exercise Performance in Mice.

Nutrients·2026
Same author

Lubrication by plant-based emulsions: Linking oil-water protein-stabilized interfacial mechanical properties to oil droplet lubrication properties.

Current research in food science·2026
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
See all related articles

Related Experiment Video

Updated: May 16, 2026

New Features in Visual Dynamics 3.0
05:00

New Features in Visual Dynamics 3.0

Published on: August 9, 2024

JACOB: a dynamic database for computational chemistry benchmarking.

Jack Yang1, Mark P Waller

  • 1Theoretische Organische Chemie, Organisch-Chemisches Institut der Westfälische Wilhelms Universität Münster, Corrensstraße 40, 48149 Münster, Germany.

Journal of Chemical Information and Modeling
|November 20, 2012
PubMed
Summary
This summary is machine-generated.

JACOB is a new database featuring 72 diverse benchmark datasets and over 122,000 results. This resource offers flexible data retrieval and visualization for researchers.

More Related Videos

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

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
12:11

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry

Published on: April 8, 2020

Related Experiment Videos

Last Updated: May 16, 2026

New Features in Visual Dynamics 3.0
05:00

New Features in Visual Dynamics 3.0

Published on: August 9, 2024

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

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
12:11

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry

Published on: April 8, 2020

Area of Science:

  • Computational Biology
  • Bioinformatics
  • Data Science

Background:

  • Scientific research generates vast amounts of data.
  • Efficient data management and retrieval are crucial for scientific progress.
  • Existing benchmark databases may lack flexibility or comprehensive data.

Purpose of the Study:

  • To introduce JACOB, a novel database for benchmark studies.
  • To provide a flexible platform for accessing and visualizing research data.
  • To support the scientific community with a comprehensive data resource.

Main Methods:

  • Developed JACOB using a dynamic web framework.
  • Integrated 72 diverse datasets comprising 122,356 individual results.
  • Implemented categorized and text-based query functionalities.
  • Enabled automatic generation of controllable bar graphs.

Main Results:

  • JACOB successfully aggregates data from four benchmark studies.
  • Users can retrieve specific data subsets through predefined categories or text queries.
  • Data visualization is automated, with graph parameters adjustable via URL.
  • The database is accessible online at www.wallerlab.org/jacob.

Conclusions:

  • JACOB provides a robust and user-friendly platform for benchmark data.
  • The database enhances data accessibility and analysis capabilities.
  • JACOB serves as a valuable resource for researchers in various scientific domains.