RetroChimera retrosynthesis model published in Nature and open-sourced
A retrosynthesis framework called RetroChimera — which ensembles two sub-models (R-SMILES 2 and NeuralLoc) to improve prediction of chemical synthesis routes — was published in Nature; the authors also open-sourced the implementation and weights and report extensive validation including recall of rare reaction types and zero-shot transfer. In blind tests, expert chemists preferred RetroChimera’s predicted disconnections over those from its constituent models and prior approaches.