Related Experiment Video

Updated: Feb 4, 2026

Development of automated imaging and analysis for zebrafish chemical screens.
10:49

Development of automated imaging and analysis for zebrafish chemical screens.

Published on: June 24, 2010

11.8K

tsscds2018: A code for automated discovery of chemical reaction mechanisms and solving the kinetics

Aurelio Rodríguez1, Roberto Rodríguez-Fernández2, Saulo A Vázquez2

  • 1Galicia Supercomputing Center (CESGA), Santiago de Compostela, Spain.

Journal of Computational Chemistry
|September 25, 2018
PubMed

Keywords:
Graph TheoryKinetic Monte Carloaccelerated dynamics simulationsautomated methodreaction network

More Related Videos

Facilitating Drug Discovery: An Automated High-content Inflammation Assay in Zebrafish07:50

Facilitating Drug Discovery: An Automated High-content Inflammation Assay in Zebrafish

Published on: July 16, 2012

14.8K
Technical Aspect of the Automated Synthesis and Real-Time Kinetic Evaluation of [11C]SNAP-794109:50

Technical Aspect of the Automated Synthesis and Real-Time Kinetic Evaluation of [11C]SNAP-7941

Published on: April 28, 2019

8.0K

Related Concept Videos

Reaction Mechanisms03:06

Reaction Mechanisms

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:
30.9K
E2 Reaction: Kinetics and Mechanism02:45

E2 Reaction: Kinetics and Mechanism

SN2 substitutions and E2 eliminations of alkyl halides proceed via a concerted pathway. While the nucleophile attacks the alpha carbon in SN2 reactions, it functions as a strong base and abstracts a beta hydrogen in the E2 mechanism. The rate-limiting transition state in E2 elimination reactions is characterized by partially broken carbon–hydrogen and carbon–halogen bonds and a partially formed pi bond between the alpha and beta carbons. The beta hydrogen and halide are eliminated...
12.5K
E1 Reaction: Kinetics and Mechanism02:46

E1 Reaction: Kinetics and Mechanism

Here, in contrast to the E2 reaction mechanism, we delve into the aspects of the E1 reaction mechanism, which has two steps: rate-limiting loss of the leaving group and abstraction of the beta hydrogen by a weak base. Typically, the experimental proof for the E1 mechanism is via kinetic studies or isotope studies. While the former demonstrates the first-order kinetics—the dependence of the reaction solely on substrate concentration—the latter proves the abstraction of hydrogen only...
17.8K
Chemical Reactions01:19

Chemical Reactions

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...
95.9K
Chemical Reactions02:26

Chemical Reactions

A balanced chemical equation provides the information of chemical formulas of the reactants and products involved in the chemical change. A reaction’s stoichiometry helps predict how much of the reactant is needed to produce the desired amount of product, or in some cases, how much product will be formed from a specific amount of the reactant.
The relative amounts of reactants and products represented in a balanced chemical equation are often referred to as stoichiometric amounts. However, in...
13.5K
Chemical Reactions in Aqueous Solutions03:03

Chemical Reactions in Aqueous Solutions

Chemical substances interact in many different ways. Certain chemical reactions exhibit common patterns of reactivity. Due to the vast number of chemical reactions, it becomes necessary to classify them based on the observed patterns of interaction.
72.5K