Predicting retrosynthetic pathways using a combined linguistic model and hyper-graph exploration strategy. - Philippe Schwaller; Riccardo Petraglia; Valerio Zullo; Vishnu H. Nair; Rico Andreas Haeuselmann; Riccardo Pisoni; Costas Bekas; Anna Iuliano; Teodoro Laino (CoRR, 2019)

Mapping the space of chemical reactions using attention-based neural networks. - Philippe Schwaller; Daniel Probst; Alain C. Vaucher; Vishnu H. Nair; David Kreutter; Teodoro Laino; Jean-Louis Reymond (Nat. Mach. Intell., 2021)