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 ...

You may have noticed that the rock formations are very different colors. The rock formations on the left are from Red Rock State Park in Texas, and on the right is El Capitan Mountain in Yosemite ...

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.

Just like an astronomer investigates outer space, a chemist explores chemical space—a theoretical territory with all possible known (and unknown) chemical compounds. Researchers estimate chemical ...

A new model rectifies the long-standing deficiencies of the electronegativity concept. Researchers from Skoltech have developed a simple, universal formula that accurately predicts the chemical ...

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, ...