AI-enhanced adaptive virtual screening over billions of molecules lands in Nature Biotech
anshulkundaje · x · 2026-09-05
A new Nature Biotechnology paper introduces AI-enhanced adaptive virtual screening for ligand discovery across molecular libraries of billions of compounds.
The approach combines AI-guided molecular selection with biophysical tools, adaptively iterating through massive libraries rather than exhaustive enumeration, speeding up drug discovery. The paper is open access.
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