Drug discovery on an unprecedented scale
Boosting virtual screening with machine learning allowed for a 10-fold time reductionin the processing of 1.56 billion drug-like molecules. Researchers from the University of Eastern Finland teamed up with industry and supercomputers to carry out one of the world’s largest virtual drug screens.In their efforts to find novel drug molecules, researchers often rely on fast computer-aided screening of large compound libraries to identify agents that can block a drug target. Such a target can, for instance, be an enzyme that enables a bacterium to withstand antibiotics or a virus to infect its