Microsoft Research, GSK, and Novartis published RetroChimera in Nature on September 22, targeting the retrosynthesis planning step that determines how to synthesize a target molecule from existing reactions.
A distinctive feature is that the model was trained on both public and proprietary pharmaceutical reaction data, reflecting the collaboration between a technology research lab and two major pharmaceutical companies. RetroChimera improved retrosynthesis predictions and is designed to help researchers explore a wider range of molecules.