PaperInferring experimental procedures from text-based representations of chemical reactionsAlain C. Vaucher, Philippe Schwaller, et al.Nature Communications
PaperReaction classification and yield prediction using the differential reaction fingerprint DRFPDaniel Probst, Philippe Schwaller, et al.Digital Discovery
PaperUnassisted noise reduction of chemical reaction datasetsAlessandra Toniato, Philippe Schwaller, et al.Nature Machine Intelligence
PaperMapping the space of chemical reactions using attention-based neural networksPhilippe Schwaller, Daniel Probst, et al.Nature Machine Intelligence
