2 papers
cs.AI2026
A Modular Agentic Framework for Synthetically Constrained Multi-Objective Hit-to-Lead Optimization
Kelvin P. Idanwekhai, Enes Kelestemur, Benjamin Strickland +6
Hit-to-lead optimization requires iterative design of hit analogs across competing potency, selectivity, physicochemical, pharmacokinetic, safety, and synthetic constraints. We pre…
q-bio.OT2025
Improving Biomedical Knowledge Graph Quality: A Community Approach
Katherina G Cortes, Shilpa Sundar, Sarah Gehrke +13
Biomedical knowledge graphs (KGs) are widely used across research and translational settings, yet their design decisions and implementation are often opaque. Unlike ontologies that…