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 ...

CatDRX is a generative AI framework developed at Institute of Science Tokyo, which enables the design of new chemical ...

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 ...

Scientists found the first natural proof that underwater volcanoes make ammonia without biology, a reaction that may have helped life begin.

This year's Nobel Prize in Chemistry is a little unusual in that it recognizes three things: a conceptual approach to building complicated molecules, a chemical reaction that exemplifies that concept, ...

In the past few years, researchers have turned increasingly to data science techniques to aid problem-solving in organic synthesis. The software adapts key principles of Bayesian Optimization (BO) to ...

Considering risks to both those inside the lab and people in the community can help minimize hazards—and make chemistry more sustainable ...

Whether it’s a plain cheese, a deep-dish stacked with meats or a thin-crust veggie delight, there’s just something about pizza that makes it delicious. There’s a lot of chemistry that goes into ...