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PaperMolecular Transformer: A Model for Uncertainty-Calibrated Chemical Reaction PredictionPhilippe Schwaller, Teodoro Laino, et al.ACS Central Science
ReviewSELFIES and the future of molecular string representationsMario Krenn, Qianxiang Ai, et al.Patterns
PaperInferring experimental procedures from text-based representations of chemical reactionsAlain C. Vaucher, Philippe Schwaller, et al.Nature Communications