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 ...

In a Q&A, Gabe Gomes discusses the potential to combine human creativity with machine capability, transforming chemical research. Subscribe to our newsletter for the latest sci-tech news updates.

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 ...

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 ...

Despite its relevance in our everyday lives, toxicology is a relatively new field of science. As such, most traditional toxicity tests were highly dependent upon in vivo models for evaluating the ...