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 ...

The earliest stage of drug discovery is governed by a simple constraint: there are far more possible drug-like molecules than any pharmaceutical laboratory could ever test. A new deep learning system, ...

Australian researchers, led by Monash University, have invented a new artificial intelligence (AI) tool which is poised to reshape virtual screening in early stage drug discovery and enhance ...