Researchers at IRB Barcelona develop a computational framework that creates molecules with selective activity in specific cell types, without the need to start from a predefined molecular target.

Published in Communications Chemistry, the new strategy combines predictive and generative AI to design new chemical entities with specific biological effects.

Experimental validation confirmed that several of the AI-generated molecules displayed the activity they were designed for, achieving a success rate superior to that of traditional screening methods.

New research from Virginia Tech is poised to upend how scientists think about the structure of these tiny airborne droplets and what that means for predictions around air quality, pollution spread, and climate models.

New viewpoint outlines how foundation models could transform the operation of robot swarms

Using bibliometric analysis of more than 1,000 articles published between 2014 and 2024, a new study charts the first decade of the Journal of Big Data and its emergence as a leading global data science publication. The journal has surpassed 1,000 papers and nearly 65,000 citations. Researchers identified three core themes – big data infrastructure, machine and deep learning, and applications such as cybersecurity, healthcare analytics, and sentiment analysis – while highlighting the journal’s growing international reach and influence on data science and AI research.

Members of the press are invited to the world’s most prestigious mathematics conference, which will take place at the Pennsylvania Convention Center in Philadelphia from July 23 to July 30, 2026. Held every four years, the International Congress of Mathematicians (ICM) includes the announcement of the field’s top prizes — including the Fields Medals — as well as top talks from leading mathematicians on cutting-edge developments in the field.