Open access
Sep 2026
Pushing the boundaries of virtual screening scale of combinatorial spaces with the V-SYNTHES approach
Computational screening of giga-scale chemical spaces opens a cost-effective path to high-quality hit identification, providing entry points for drug discovery. As these on-demand spaces grow and successful applications multiply, rigorous blind benchmarks like CACHE Challenges provide important performance metrics for...
Mykola V. Protopopov, Olha Semenenko, Maryna Vasylchuk et al.
· npj Drug Discovery · 0 citations