Chinese researchers have developed an artificial intelligence-powered virtual drug screening platform that achieves a ...

BEIJING, Jan. 10 (Xinhua) -- Chinese researchers have developed an AI-powered virtual drug screening platform that achieves a million-fold increase in screening speeds and a significant improvement in ...

Virtual screening is a set of computational methods used to evaluate large numbers of molecules and identify those most likely to interact with a biological target, typically a protein. The concept is ...

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 ...

Boosting virtual screening with machine learning allowed for a 10-fold time reduction in the processing of 1.56 billion drug-like molecules. Researchers from the University of Eastern Finland teamed ...

Creating new drugs is extremely difficult, and very expensive 1. There are an estimated 10 60 drug-like molecules in chemical space — the theoretical space spanned by all possible molecules and ...

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 ...

Virtual screening can be approached in several ways, depending on whether the comparison is based on the known small molecule binders (ligands) or the target protein structure. Ligand-based virtual ...