The 2024 Nobel Prize in chemistry recognized Demis Hassabis, John Jumper and David Baker for using machine learning to tackle one of biology's biggest challenges: predicting the 3D shape of proteins ...

Chemists have created a machine learning tool that can identify the chemical composition of dried salt solutions from an image with 99% accuracy. By using robotics to prepare thousands of samples and ...

Machine learning is changing the front end of drug discovery, where researchers decide which targets to pursue and which molecules deserve costly laboratory work. Its deeper test lies further ...

The 2024 Nobel Prize in chemistry recognized Demis Hassabis, John Jumper, and David Baker for using machine learning to tackle one of biology’s biggest challenges: predicting the 3D shape of proteins ...

The world is awash with news about artificial intelligence tools, including those intended to help chemists. But are the tools useful, a threat, or even worth the attention? It’s hard to know, ...

When experiments are impractical, density functional theory (DFT) calculations can give researchers accurate approximations of chemical properties. The mathematical equations that underpin the ...

Drug discovery is like molecular Tetris. Chemists snap atoms together, adjusting the pieces until everything fits and suddenly, a molecule makes a promising new medicine. Normally, creating better ...

Making high-performance proteins for medicines or consumer products can take trial after trial of tweaks, experiments and fine-tuning. A new machine learning framework squeezes all that into a single ...

The Chemical Sciences Roundtable (CSR) explores cutting-edge topics to inform and advance the fields of chemistry and chemical engineering. We foster collaboration among experts from government, ...