Rise of AI Technologies in Virtual Screening
binding assays. We show that Boltz-2 is the best classifier, with a success rate twice that of any other rescoring strategy. Ligand classifications by Boltz-2 are straightforward, accurate, efficient and robust, opening to million-compound accurate rankings on commodity resources.
Authors
- Hryhory Sinenka (ORCID: https://orcid.org/0000-0003-3495-7786)
- Marco Cecchini (ORCID: https://orcid.org/0000-0003-2671-1583)
Institutions
- Institut de Chimie de Strasbourg (FR)
- Université de Strasbourg (FR)
- Depomed (United States) (US)
Publication Details
- Journal
- Journal of Chemical Information and Modeling
- Published
- 2026-04-16
- DOI
- https://doi.org/10.1021/acs.jcim.6c00877
- Primary Topic
- Artificial Intelligence in Healthcare and Education
- Type
- article
- Field-Weighted Citation Impact
- 0.00
Funders
- HORIZON EUROPE Marie Sklodowska-Curie Actions