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

Motor proteins power everything from muscle contraction to bacterial swimming. While replicating their chemically fuelled ...

There is more than one way to describe a water molecule, especially when communicating with a machine learning (ML) model, says chemist Robert DiStasio. You can feed the algorithm the molecule's ...

Organic light-emitting diodes (OLEDs) have become a standard in modern devices with incredible contrast and sleek designs.

Professor Jiawen Chen and Associate Researcher Yan Wang from South China Normal University, in collaboration with Professor Ben L. Feringa's team at the University of Groningen, Netherlands, designed ...

A molecular model shows two macrocycles interlocked like links in a chain, with additional atoms attached on the side of one ring. This conceptual version of the catenane made by Michael Kathan and ...

Fast-scanning atomic force microscopy imaging of the molecule at two different time points shows positional shifts along the polymer chain on the left. On the right, the molecular structure of PEG ...

(Nanowerk News) Artificial molecular machines, nanoscale machines consisting of a few molecules, offer the potential to transform fields involving catalysts, molecular electronics, medicines, and ...

For decades, chemists believed that assembling rotaxanes required carefully designed molecular recognition between a ring and an axle, or rod-shaped, unit. Researchers have now flipped this paradigm, ...