WEST LAFAYETTE, Ind. – Machine learning has been used widely in the chemical sciences for drug design and other processes. The models that are prospectively tested for new reaction outcomes and used ...

A machine-learning technique first developed for understanding language can accurately classify reactions according to type (Nat. Mach. Intell. 2021, DOI: 10.1038/s42256-020-00284-w). The model also ...

Researchers in Japan have developed a machine learning process that simultaneously designs new molecules and suggests the chemical reactions needed to make them. The team at the Institute of ...

If you follow the directions in a cake recipe, you expect to end up with a nice fluffy cake. In Idaho Falls, though, the elevation can affect these results. When baked goods don’t turn out as expected ...

Researchers at Stony Brook University’s Materials Science and Chemical Engineering Department have been using computers that are capable of learning to recognize various steps in the complex movement ...

Superhydrides are materials that can store significantly more hydrogen than conventional hydrides and present a highly promising option for applications such as hydrogen storage and superconducting ...

The optimization of reactions used to synthesize target compounds is pivotal to chemical research and discovery, whether in developing a route for manufacturing a life-saving medicine 1 or unlocking ...

In the production of chemical compounds, the success of each individual reaction depends on numerous parameters. It is not always possible, even for experienced chemists, to predict whether a reaction ...