Author

Mykola V. Protopopov

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Open access Sep 2026

Pushing the boundaries of virtual screening scale of combinatorial spaces with the V-SYNTHES approach

The first application of the V-SYNTHES2 synthon-based screening approach to the 173-billion-compound Enamine xREAL Space is reported, demonstrating near-linear computational scaling with only a 10–15% increase in cost relative to the 11-billion-compound REAL Space.

Mykola V. Protopopov, Olha Semenenko, Maryna Vasylchuk et al. · npj Drug Discovery · 0 citations