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 ...
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 ...
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 ...
Explore predictive modeling for compound prioritization, including in silico screening, toxicology models, and lead selection ...
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, ...
AI-driven virtual screening uncovers two potent CDK9 inhibitors with anticancer effects in lab tests
A new and important discovery comes from the field of oncological research thanks to the joint work of researchers from the Sbarro Institute in Philadelphia, the National Cancer Institute—Pascale ...
Results that may be inaccessible to you are currently showing.
Hide inaccessible results