PaperPredicting retrosynthetic pathways using transformer-based models and a hyper-graph exploration strategyPhilippe Schwaller, Riccardo Petraglia, et al.Chemical Science
PaperData-driven Chemical Reaction Prediction and RetrosynthesisVishnu H. Nair, Philippe Schwaller, et al.Chimia
PaperReaction classification and yield prediction using the differential reaction fingerprint DRFPDaniel Probst, Philippe Schwaller, et al.Digital Discovery
PaperAutomated extraction of chemical synthesis actions from experimental proceduresAlain C. Vaucher, Federico Zipoli, et al.Nature Communications
