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

CatDRX is a generative AI framework developed at Institute of Science Tokyo, which enables the design of new chemical catalysts based on the specific chemical reactions in which they are used. The ...

Researchers have developed an AI method that improves the identification of toxic chemicals -- based solely on knowledge of the molecular structure. The method can contribute to better control and ...

Computational Chemistry is the study of complex chemical problems using a combination of computer simulations, chemistry theory and information science. Also called cheminformatics, this field enables ...

Matthew Addicoat receives funding from EPSRC and the Royal Society. The universe is flooded with billions of chemicals, each a tiny pinprick of potential. And we’ve only identified 1% of them.

How does our nose work? Have you wondered how we can detect so many different types of odors? There is chemistry behind food smells. In this activity, we will explore how small changes in chemical ...