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 ...

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 ...

A cryo-EM and GPCR expert, a virtual screening pioneer, and a virtual chemical library creator walk into a bar. The result is not the opening line of a joke but rather the founding of a start-up that ...

The process of identifying promising small molecule drug candidates that target cancer checkpoints may become faster and smarter through virtual screening, according to Weill Cornell Medicine ...

A research team from the University of Hong Kong has developed a general computational protocol for phosphorescent platinum(II) complexes via high throughput virtual screening and Δ-learning ...

Boosting virtual screening with machine learning allowed for a 10-fold time reduction in the processing of 1.56 billion drug-like molecules. Researchers teamed up with industry and supercomputers to ...

The process of identifying promising small molecule drug candidates that target cancer checkpoints may become faster and smarter through virtual screening, according to Weill Cornell Medicine ...

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 ...

SAN FRANCISCO, Oct. 29, 2025 /PRNewswire/ --Numerion Labs, an AI-native company pioneering the application of AI/ML to drug discovery, today announced the release of a research paper co-authored by ...