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

Catalytically Perfect Enzymes01:07

Catalytically Perfect Enzymes

4.0K
The theory of catalytically perfect enzymes was first proposed by W.J. Albery and J. R. Knowles in 1976. These enzymes catalyze biochemical reactions at high-speed. Their catalytic efficiency values range from 108-109 M-1s-1. These enzymes are also called 'diffusion-controlled' as the only rate-limiting step in the catalysis is that of the substrate diffusion into the active site. Examples include triose phosphate isomerase, fumarase, and superoxide dismutase.
 
Most enzymes...
4.0K
Radical Reactivity: Concentration Effects01:20

Radical Reactivity: Concentration Effects

1.5K
In a radical reaction, the concentration of starting materials governs the selectivity of a radical. For example, the reaction between an alkyl halide and an alkene, in the presence of tin hydride and AIBN, begins with the generation of a tin radical. The generated radical then abstracts halogen from the alkyl halide, producing an alkyl radical. This alkyl radical can either react with tin hydride, yielding an alkane, or add to an alkene, generating a nitrile-stabilized radical, eventually...
1.5K

You might also read

Related Articles

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

Sort by
Same author

Leveraging artificial intelligence for evidence synthesis.

JBI evidence synthesis·2026
Same author

Structure-activity relationships of ATCUN-based Cu(II) complexes with large chelate rings: interplay of ROS generation, DNA binding, and nuclease activity.

Dalton transactions (Cambridge, England : 2003)·2026
Same author

How characteristics of work songs facilitate tempo-keeping in social interactions.

Proceedings. Biological sciences·2026
Same author

molIEreVIS: exploring and interpreting the evidence behind drug repurposing predictions.

Frontiers in bioinformatics·2026
Same author

SHACLens: a visualization workflow for SHACL violation exploration in knowledge graphs.

Frontiers in bioinformatics·2026
Same author

Attentional strategies and ancillary gestures in resisting unintentional synchronization during joint action.

Acta psychologica·2026

Related Experiment Video

Updated: Jun 26, 2025

Optimization of the Ugi Reaction Using Parallel Synthesis and Automated Liquid Handling
08:24

Optimization of the Ugi Reaction Using Parallel Synthesis and Automated Liquid Handling

Published on: November 11, 2008

16.4K

CIME4R: Exploring iterative, AI-guided chemical reaction optimization campaigns in their parameter space.

Christina Humer1, Rachel Nicholls2, Henry Heberle2

  • 1Johannes Kepler University Linz, Linz, 4040, Austria. christina.humer@jku.at.

Journal of Cheminformatics
|May 10, 2024
PubMed
Summary

CIME4R is a new web application that helps scientists analyze chemical reaction optimization data and AI predictions. It improves understanding of complex parameter spaces and enhances human-AI collaboration for better decision-making.

Keywords:
Artificial intelligenceBayesian optimizationExplainable AIInterpretableReaction optimization

More Related Videos

Author Spotlight: Accelerating Discovery in Microporous Material Chemistry
07:20

Author Spotlight: Accelerating Discovery in Microporous Material Chemistry

Published on: October 6, 2023

3.6K
Generic Protocol for Optimization of Heterologous Protein Production Using Automated Microbioreactor Technology
06:24

Generic Protocol for Optimization of Heterologous Protein Production Using Automated Microbioreactor Technology

Published on: December 15, 2017

10.0K

Related Experiment Videos

Last Updated: Jun 26, 2025

Optimization of the Ugi Reaction Using Parallel Synthesis and Automated Liquid Handling
08:24

Optimization of the Ugi Reaction Using Parallel Synthesis and Automated Liquid Handling

Published on: November 11, 2008

16.4K
Author Spotlight: Accelerating Discovery in Microporous Material Chemistry
07:20

Author Spotlight: Accelerating Discovery in Microporous Material Chemistry

Published on: October 6, 2023

3.6K
Generic Protocol for Optimization of Heterologous Protein Production Using Automated Microbioreactor Technology
06:24

Generic Protocol for Optimization of Heterologous Protein Production Using Automated Microbioreactor Technology

Published on: December 15, 2017

10.0K

Area of Science:

  • Chemical Engineering
  • Computational Chemistry
  • Data Science

Background:

  • Chemical reaction optimization (RO) generates large, high-dimensional datasets, challenging current analysis tools.
  • The integration of artificial intelligence (AI) in RO introduces further complexity in understanding model predictions and guiding the optimization process.

Purpose of the Study:

  • To introduce CIME4R, an open-source interactive web application designed for analyzing reaction optimization data and AI predictions.
  • To facilitate scientists' comprehension of reaction parameter spaces, RO process evolution, critical factors, and AI model decisions.
  • To enhance human-AI collaboration and trust calibration in AI-guided reaction optimization workflows.

Main Methods:

  • Development of CIME4R, an open-source interactive web application.
  • Testing and evaluation of CIME4R with domain experts through three case studies.
  • Focus on interactive analysis of RO data and AI model predictions.

Main Results:

  • CIME4R enables users to comprehend reaction parameter spaces and track RO process development.
  • The application aids in identifying critical reaction factors and understanding AI model predictions.
  • Domain experts utilized CIME4R to gain insights from past RO campaigns and inform future experimental decisions.

Conclusions:

  • CIME4R is the first open-source interactive web application specifically for reaction optimization analysis.
  • The tool supports informed decision-making by combining human expertise with computational precision in AI-guided RO.
  • CIME4R has the potential to improve scientific workflows in reaction optimization and foster an open-source community.