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

Chemical Reactions01:19

Chemical Reactions

95.5K
A chemical reaction is a process by which the bonds in the atoms of substances are rearranged to generate new substances. Matter cannot be created or destroyed in a chemical reaction—the same type and number of atoms that make up the reactants are still present in the products. Merely, the rearrangement of chemical bonds produces new compounds.
Chemical Reactions Rearrange Atoms into New Substances
A chemical reaction takes starting materials—the reactants—and changes them...
95.5K
Reaction Mechanisms03:06

Reaction Mechanisms

30.6K
Chemical reactions often occur in a stepwise fashion, involving two or more distinct reactions taking place in a sequence. A balanced equation indicates the reacting species and the product species, but it reveals no details about how the reaction occurs at the molecular level. The reaction mechanism (or reaction path) provides details regarding the precise, step-by-step process by which a reaction occurs.
For instance, the decomposition of ozone appears to follow a mechanism with two steps:
30.6K
Reaction Stoichiometry02:57

Reaction Stoichiometry

77.5K
A balanced chemical equation provides a great deal of information in a very succinct format. Chemical formulas provide the identities of the reactants and products involved in the chemical change, allowing classification of the reaction. Coefficients provide the relative numbers of these chemical species, allowing a quantitative assessment of the relationships between the amounts of substances consumed and produced by the reaction. These quantitative relationships are known as the reaction’s...
77.5K
Reaction Rate02:53

Reaction Rate

62.5K
The rate of reaction is the change in the amount of a reactant or product per unit time. Reaction rates are therefore determined by measuring the time dependence of some property that can be related to reactant or product amounts. Rates of reactions that consume or produce gaseous substances, for example, are conveniently determined by measuring changes in volume or pressure.
The mathematical representation of the change in the concentration of reactants and products, over time, is the rate...
62.5K
Precipitation Reactions03:10

Precipitation Reactions

64.5K
In a precipitation reaction, aqueous solutions of soluble salts react to give an insoluble ionic compound – the precipitate. The reaction occurs when oppositely charged ions in solution overcome their attraction for water and bind to each other, forming a precipitate that separates out from the solution. Since such reactions involve the exchange of ions between ionic compounds in aqueous solution, they are also referred to as double displacement, double replacement, exchange reactions, or...
64.5K
Redox Reactions01:24

Redox Reactions

58.5K
Oxidation-reduction or redox reactions involve the transfer of electrons from one molecule or atom to another. When an atom gains an electron, another atom must lose an electron, meaning oxidation and reduction must occur together. Since the redox occurs in pairs, the atom that gets oxidized is also called the reducing agent or reductant, and the atom that is reduced is also called the oxidizing agent or oxidant. A straightforward way to remember the definitions of oxidation and reduction is...
58.5K

You might also read

Related Articles

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

Sort by
Same author

Catalytic Asymmetric Hydration of Alkenes.

Journal of the American Chemical Society·2026
Same author

Predicting Enantioselectivity via Kinetic Simulations on Gigantic Reaction Path Networks.

ACS central science·2026
Same author

Current Insights on Skin Permeability Data and Quantitative Structure-Property Relationship Modeling.

Molecular informatics·2026
Same author

Interpretable and Scalable Similarity Metrics for DNA-Encoded Library Design Using Generative Topographic Mapping.

Molecular informatics·2026
Same author

Toward Reaction Vessel Mimicry: Machine Learning-Assisted Automated Exploration of Alkene Polymerization and Its Transferability.

Journal of chemical theory and computation·2026
Same author

Conditional Variational AutoEncoder to Predict Suitable Conditions for Hydrogenation Reactions.

Molecules (Basel, Switzerland)·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

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
Same journal

Structural and Thermodynamic Discrimination between Agonists and Antagonists of Retinoic Acid Receptor γ and the Vitamin D Receptor.

Journal of chemical information and modeling·2026
See all related articles

Related Experiment Video

Updated: Jan 25, 2026

Analysis of Complex Molecules and Their Reactions on Surfaces by Means of Cluster-Induced Desorption/Ionization Mass Spectrometry
07:53

Analysis of Complex Molecules and Their Reactions on Surfaces by Means of Cluster-Induced Desorption/Ionization Mass Spectrometry

Published on: March 1, 2020

7.8K

CGRtools: Python Library for Molecule, Reaction, and Condensed Graph of Reaction Processing.

Ramil I Nugmanov1, Ravil N Mukhametgaleev1, Tagir Akhmetshin1

  • 1Laboratory of Chemoinformatics and Molecular Modeling, A.M. Butlerov Institute of Chemistry , Kazan Federal University , 18 Kremlyovskaya Str. , 420008 Kazan , Russia.

Journal of Chemical Information and Modeling
|May 8, 2019
PubMed
Summary
This summary is machine-generated.

CGRtools is a novel Python library for processing molecular and reaction data using condensed graph of reaction (CGR) representations. This open-source tool enables advanced cheminformatics tasks and offers Pythonic object handling for chemical information.

More Related Videos

Single-Molecule Imaging of EWS-FLI1 Condensates Assembling on DNA
07:05

Single-Molecule Imaging of EWS-FLI1 Condensates Assembling on DNA

Published on: September 8, 2021

2.8K
Author Spotlight: Evaluation of Protein-Condensate Dynamics in Live Human Cells
06:48

Author Spotlight: Evaluation of Protein-Condensate Dynamics in Live Human Cells

Published on: January 5, 2024

5.2K

Related Experiment Videos

Last Updated: Jan 25, 2026

Analysis of Complex Molecules and Their Reactions on Surfaces by Means of Cluster-Induced Desorption/Ionization Mass Spectrometry
07:53

Analysis of Complex Molecules and Their Reactions on Surfaces by Means of Cluster-Induced Desorption/Ionization Mass Spectrometry

Published on: March 1, 2020

7.8K
Single-Molecule Imaging of EWS-FLI1 Condensates Assembling on DNA
07:05

Single-Molecule Imaging of EWS-FLI1 Condensates Assembling on DNA

Published on: September 8, 2021

2.8K
Author Spotlight: Evaluation of Protein-Condensate Dynamics in Live Human Cells
06:48

Author Spotlight: Evaluation of Protein-Condensate Dynamics in Live Human Cells

Published on: January 5, 2024

5.2K

Area of Science:

  • Cheminformatics
  • Computational Chemistry
  • Software Development

Background:

  • Handling molecular and reaction information is crucial for computational chemistry.
  • Existing libraries may have limitations in processing complex reaction data.
  • Condensed Graph of Reaction (CGR) offers advanced capabilities for reaction analysis.

Purpose of the Study:

  • Introduce CGRtools, an open-source Python library for molecular and reaction data.
  • Highlight CGRtools' unique capability in processing Condensed Graph of Reaction (CGR).
  • Demonstrate the utility of CGRtools for various cheminformatics applications.

Main Methods:

  • Developed CGRtools as a Python-based library with minimal dependencies.
  • Implemented native Python methods for reaction, molecule, and CGR objects.
  • Ensured cross-platform compatibility and support for common structural formats.

Main Results:

  • CGRtools is the first library to fully support CGR handling.
  • The library facilitates advanced operations like descriptor calculation and structure-reactivity modeling.
  • Objects in CGRtools support native Python comparison operators.

Conclusions:

  • CGRtools provides a versatile and accessible platform for chemical reaction informatics.
  • Its unique CGR handling capabilities advance computational chemistry research.
  • The open-source nature and Pythonic design promote wider adoption and development.