MedSAGE: Bridging Generative AI and Medicinal Chemistry for Structure-Based Design of Small Molecule Drugs
Alexander S. Powers, Tianyu Lu, Rohan V. Koodli, Minkai Xu, Siyi Gu, Masha Karelina, Ron O. Dror
MedSAGE improves small molecule drug design by generating synthesizable, drug-like molecules with high predicted affinity and selectivity for therapeutic targets.
bioRxiv · May 10, 2025 · PreprintBiophysics