AI Reports · Microsoft · 2026-09-21 · Blog / commentary
Improving synthesis prediction of small molecules at scale with RetroChimera
RetroChimera is a retrosynthesis model that automatically proposes synthesis routes by working backward from a target molecule. It combines two models with complementary strengths and learns to rank their proposals, outperforming either model alone. In blind tests, PhD-level chemists preferred its individual reaction predictions over earlier models and recorded literature reactions.