Molecular machine learning (ML) underpins critical workflows in drug discovery, material science, and catalyst optimization by rapidly predicting molecular interactions and properties. For instance, ...

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 ...

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, ...

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 ...