BioinformaticsJournal of Chemical Information and ModelingPeer-reviewed
Circumventing the synthesizability problem in generative molecular design
Jesse A. Weller, Jinsen Li, Yibei Jiang, Remo Rohs
This paper introduces a model-guided virtual screening pipeline to improve synthesizability in generative drug design by combining SBDD models with chemical similarity search.
DOI 10.1021/acs.jcim.6c00998