EVANSTON, Ill. — The chemical industry powers modern life, from fertilizers to pharmaceuticals, but much of what happens at the atomic level during catalytic reactions has remained invisible—until now ...

Researchers developed a machine-learning model that can predict the structures of transition states of chemical reactions in less than a second, with high accuracy. Their model could make it easier ...

Published in ACS Catalysis on December 21, 2025, the article introduces ChemOntology, a new artificial intelligence system that rapidly explores and analyzes chemical reactions using human-like ...

Researchers develop an AI-based platform that integrates reaction data with catalyst performance for the design of new ...