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 ...

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 ...

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 ...

Join our daily and weekly newsletters for the latest updates and exclusive content on industry-leading AI coverage. Learn More In a study published this week in the Journal of Medicinal Chemistry, ...

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.

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, ...