Researchers developed a machine-learning model that can predict the structures of transition states of chemical reactions in less than a second, with high accuracy. Their model could make it easier ...

Researchers develop an AI-based platform that integrates reaction data with catalyst performance for the design of new ...

There may be hidden layers to Earth’s core dictated by chemical composition. In A Nutshell Lab experiments suggest Earth’s ...

Representing a molecule in a way that captures both its structure and function is central to tasks such as molecular property prediction, drug drug ...

CatDRX is a generative AI framework developed at Institute of Science Tokyo, which enables the design of new chemical catalysts based on the specific chemical reactions in which they are used. The ...

Genesis’ proprietary foundation model – Pearl – outperforms frontier models, including AlphaFold 3, on key benchmarks that predict utility in real-world drug discovery Pearl’s performance improved ...