Understanding and predicting molecular structure and reactivity is fundamental to advancing chemical science and technology, with the potential for rapid progress when combined with machine‑learning ...

New pharmaceuticals, cleaner fuels, biodegradable plastics: in order to meet society's needs, chemists have to develop new synthesis methods to obtain new products that do not exist in their natural ...

A new online platform to explore computationally calculated chemical reaction pathways has been released, allowing for in-depth understanding and design of chemical reactions. A new online platform to ...

This new cerium-based catalyst interconverts between two oxidation states with distinct chemical properties, enabling two completely different reactions to occur in the same container. Most of the ...

One of the important objectives of green chemistry is the use of eco-friendly solvents and catalysts to perform chemical reactions. Catalysts such as organocatalysts, enzymes, and ionic liquids have ...

In chemical processes for producing pharmaceuticals, catalysts are a core technology that determines production speed and ...

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 ...

Got a molecule in mind? Artificial intelligence-powered synthesis robots may soon take it from there. In a virtual event last week, IBM launched RoboRXN, a fully automated synthesis system. As project ...

Just like an astronomer investigates outer space, a chemist explores chemical space—a theoretical territory with all possible known (and unknown) chemical compounds. Researchers estimate chemical ...