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Schwaller, Philippe; Probst, Daniel; Vaucher, Alain C.; Nair, Vishnu H.; Kreutter, David Patrick Joseph; Laino, Teodoro; Reymond, Jean-Louis (2021). Mapping the space of chemical reactions using attention-based neural networks. Nature machine intelligence, 3(2), pp. 144-152. Springer Nature 10.1038/s42256-020-00284-w
Schwaller, Philippe; Probst, Daniel; Vaucher, Alain C.; Nair, Vishnu H; Laino, Teodoro; Reymond, Jean-Louis (26 December 2019). Data-Driven Chemical Reaction Classification, Fingerprinting and Clustering using Attention-Based Neural Networks ChemRxiv 10.26434/chemrxiv.9897365.v2
