ReviewBalancing computational chemistry's potential with its environmental impactOliver Schilter, Philippe Schwaller, et al.Green Chemistry
PaperPredicting retrosynthetic pathways using transformer-based models and a hyper-graph exploration strategyPhilippe Schwaller, Riccardo Petraglia, et al.Chemical Science
PaperPrediction of chemical reaction yields using deep learningPhilippe Schwaller, Alain C. Vaucher, et al.Machine Learning: Science and Tech.
PaperInferring experimental procedures from text-based representations of chemical reactionsAlain C. Vaucher, Philippe Schwaller, et al.Nature Communications
