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 ...

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 ...

After years of research, international experts have confirmed the discovery of a new chemical reaction, launching new opportunities for rapid advances in a range of fields—from recycled plastics to ...

I read the article on the American Chemical Society’s new strategy (C&EN, Jan. 13, 2025, page 41) and noticed that one of the new core values is passion for science. One way of encouraging a passion ...

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 ...

How did life begin? How did chemical reactions on the early Earth create complex, self-replicating structures that developed into living things as we know them? According to one school of thought, ...