A team led by Guoyin Yin at Wuhan University and the Shanghai Artificial Intelligence Laboratory recently proposed a modular machine learning ...

Scientists have been naming ideas, theorems, discoveries, and so on after other scientists for a very long time (Newton’s laws of motion, anyone?). Chemists are no different. They’ve been naming ...

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 ...

From structure confirmation to methodology improvements, making complex natural products has driven innovation in organic ...

Organic chemistry is the study of the structure, properties, composition, reactions, and preparation of carbon-containing compounds. Most organic compounds contain carbon and hydrogen, but they may ...

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