CatDRX is a generative AI framework developed at Institute of Science Tokyo, which enables the design of new chemical ...

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 ...

Work done by chemists is multipronged — it requires not only technical skills to execute chemical reactions, but also knowledge to plan them. For example, designing an organic synthesis might involve ...

Researchers developed a way to quickly calculate the transition state structure of a chemical reaction, using machine-learning models. During a chemical reaction, molecules gain energy until they ...

Open Molecules 2025, an unprecedented dataset of molecular simulations, has been released to the scientific community, paving the way for the development of machine learning tools that can accurately ...

What are the different types of predictive modeling? Your email has been sent Predictive modeling is a type of data mining that is used in a variety of situations and industries. This process involves ...