AI | Bioinformatics | Drug Discovery | Machine Learning | News | Paper Summary | Structural Biology | Tools | Trending
Machine Learning Model ‘HASTEN’ Enables Giga-Scale Virtual Screening of Enumerated Chemical Libraries
A team of researchers utilized HASTEN, a machine-learning (ML) model, to perform virtual screening on ultra-large chemical compound libraries. Several challenges are faced when screening libraries of such large scale, and conventional brute-force docking methods that are usually used have drawbacks, especially for libraries that span nearly a billion compounds. HASTEN is a quick and…
