Compound libraries are curated collections of chemical molecules used in drug discovery. A range of screening collections, ...

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 ...

Matthew Addicoat receives funding from EPSRC and the Royal Society. The universe is flooded with billions of chemicals, each a tiny pinprick of potential. And we’ve only identified 1% of them.

For many decades, the method to obtain atomic-level descriptions of chemical compounds and materials—be it a drug, a catalyst, or a commodity chemical—has been X-ray crystallography. This method has a ...

Scientists have built an artificial intelligence (AI) model that identifies chemical compounds that promote healthy aging - paving the way towards pharmaceutical innovations that extend a person's ...

The University of Surrey has built an artificial intelligence (AI) model that identifies chemical compounds that promote healthy aging—paving the way towards pharmaceutical innovations that extend a ...

A new method that captures and detects ‘hidden’ diazo metabolites has identified two of them in a bacterium that causes lung ...