q-bio.BM · 2026-09-22 · No. 121
Biomolecules, 2026-09-22.
1 new papers in q-bio.BM. Titles, authors,
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01 — The papers
1 entries-
01
Adapting Boltz-2 with limited experimental activity data improves early enrichment in virtual screening
Kairi Furui, Masahito Ohue
q-bio.BM · cs.AI · cs.LG · q-bio.QM
Virtual screening aims to prioritize active compounds from large chemical libraries within a limited experimental budget. When applying Boltz-2 to virtual screening, a key challenge is how to use limited experimental data from the target assay to improve the prioritization of active compounds. We investigated whether fine-tuning the Boltz-2 affinity heads with a small number of binary activity labels could improve early enrichment of active...
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