Related Experiment Video
Updated: Oct 13, 2025

Applying Cheminformatics to Develop a Structure Searchable Database of Analytical Methods
Published on: June 6, 2025
Call for a Public Open Database of All Chemical Reactions
1Department of Computer Science, University of California, Irvine, Irvine, California 92697, United States.
Abstract:
Today there exists no public, freely downloadable, comprehensive database of all known chemical reactions and associated information. Such a database not only would serve chemical sciences and technologies around the world but also would enable the power of modern AI and machine learning methods to be unleashed on a host of fundamental problems. In time, this could lead to important scientific discoveries and economic developments for the benefit of humanity. While ideally such a repository ought to be created and maintained by an international consortium, in the near future, it may be easier to begin the process through governmental agencies such as the National Science Foundation or the National Institutes of Health. Working together, we could use a multipronged approach that could combine negotiations with commercial stakeholders, crowd-sourcing efforts, automated extraction methods, and legislative actions.
Related Concept Videos
Chemical Reactions
Chemical Reactions Rearrange Atoms into New Substances
A chemical reaction takes starting materials—the reactants—and changes them...
Introduction to Chemical Reactions
Types of Chemical Reactions: Exchange and Reversible
A special kind of exchange reaction is the oxidation-reduction reaction, or the redox reaction. These reactions involve the transfer of electrons from one compound to another. The electrons in these reactions commonly come from hydrogen atoms, which consist of an electron and a proton. A molecule gives up a...
Predicting Reaction Outcomes
Chemical Equations
Multi-Step Reactions

