AI platform that can screen vast library of chemical compounds opens up new frontiers in fight against cancer and infectious ...

In drug discovery, virtual screening is a fast and cost-effective way of narrowing down vast chemical libraries to identify the most promising hits, reducing synthesis and testing requirements while ...

Machine learning is changing the front end of drug discovery, where researchers decide which targets to pursue and which molecules deserve costly laboratory work. Its deeper test lies further ...

Researchers in China have unveiled a new AI framework that could accelerate the discovery of new medicines. DrugCLIP can scan millions of potential drug compounds against thousands of protein targets ...

This article and associated images are based on a poster originally authored by Lin Chen, Vincent Blay, Pedro J. Ballester and Douglas R. Houston and presented at ELRIG Drug Discovery 2025 in ...

The comparison between virtual screening and physical screening has become a central topic in modern drug discovery, as laboratories seek to balance efficiency and certainty. Advances in computational ...

In a recent review published in the journal Nature, researchers examined recent breakthroughs in ligand discovery tools, their potential to reshape the drug research and development process, and the ...