Human-supervised Agentic AI for Hypothesis Generation and Experimental Assistance in Drug Repurposing
Dinh-Long Huynh, Elin Asp, Flavio Ballante, Jordi Carreras Puigvert, Alisa Nicole DeGrave, Reagon Karki, Kristen Michelle Nader, Päivi Östling, B.K. Pokharel, Jonne Rietdijk, Lars Schlotawa, Lina Schmidt, Srijit Seal, Brinton A. Seashore-Ludlow, Tero A. Aittokallio, Ola Spjuth
A human-supervised multi-agent LLM system covered drug repurposing from knowledge graph building to assay analysis in three case studies; retrospective COVID-19 screen AUC-ROC 0.986 without predefined thresholds.
bioRxiv · Aug 17, 2026 · PreprintBioinformatics✦ In-depth digest