Researchers overcome computational limitations to predict the starting materials of multi-step reactions using only information about the target product molecule. Researchers overcome computational ...

Everyday life without artificial intelligence is barely conceivable in today's world. Countless applications in areas such as autonomous driving, foreign language translations or medical diagnostics ...

A team of researchers have developed state-of-the-art software to predict reaction yields while varying up to four components. Their software can work for any reaction on any substrate, using Spartan ...

During a chemical reaction, molecules gain energy until they reach what’s known as the transition state — a point of no return from which the reaction must proceed. This state is so fleeting that it’s ...