Language models are now also being used in the natural sciences. In chemistry, they are employed, for instance, to predict new biologically active compounds. Chemical language models (CLMs) must be ...

When chemists design new chemical reactions, one useful piece of information involves the reaction's transition state—the point of no return from which a reaction must proceed. This information allows ...

In recent years, machine learning models have become increasingly popular for risk assessment of chemical compounds. However, they are often considered 'black boxes' due to their lack of transparency, ...

Heavy metal contamination in soils remains a persistent global challenge, threatening food safety, water quality, and ...

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.

The increasing complexity of modern chemical engineering processes presents significant challenges for timely and accurate anomaly detection. Traditional ...