| Unassisted noise reduction of chemical reaction datasets A Toniato, P Schwaller, A Cardinale, J Geluykens, T Laino Nature Machine Intelligence 3 (6), 485-494, 2021 | 44 | 2021 |
| Unbiasing retrosynthesis language models with disconnection prompts A Thakkar, AC Vaucher, A Byekwaso, P Schwaller, A Toniato, T Laino ACS Central Science 9 (7), 1488-1498, 2023 | 11 | 2023 |
| Quantum chemical data generation as fill-in for reliability enhancement of machine-learning reaction and retrosynthesis planning A Toniato, JP Unsleber, AC Vaucher, T Weymuth, D Probst, T Laino, ... Digital Discovery 2 (3), 663-673, 2023 | 7 | 2023 |
| The Role of AI in Driving the Sustainability of the Chemical Industry A Toniato, O Schilter, T Laino Chimia 77 (3), 144-144, 2023 | 6 | 2023 |
| Enhancing diversity in language based models for single-step retrosynthesis A Toniato, AC Vaucher, P Schwaller, T Laino Digital Discovery 2 (2), 489-501, 2023 | 5 | 2023 |
| Grand challenges on accelerating discovery in catalysis A Toniato, AC Vaucher, T Laino Catalysis Today 387, 140-142, 2022 | 4 | 2022 |
| Fast Customization of Chemical Language Models to Out-of-Distribution Data Sets A Toniato, AC Vaucher, MM Lehmann, T Luksch, P Schwaller, M Stenta, ... Chemistry of Materials 35 (21), 8806-8815, 2023 | 1 | 2023 |
| Fuelling the Digital Chemistry Revolution with Language Models: Sandmeyer Award 2022 A Cardinale, A Castrogiovanni, T Gaudin, J Geluykens, T Laino, M Manica, ... Chimia 77 (7/8), 484-484, 2023 | 1 | 2023 |
| Standardizing chemical compounds with language models MT Cretu, A Toniato, A Thakkar, AA Debabeche, T Laino, AC Vaucher Machine Learning: Science and Technology 4 (3), 035014, 2023 | 1 | 2023 |
| Class-dependent machine learning based inferences A Toniato, P Schwaller, T Laino US Patent App. 16/984,331, 2022 | | 2022 |
| Inferring missing molecules in incomplete chemical equations A Vaucher, P Schwaller, A Toniato, T Laino American Chemical Society (ACS) Fall Meeting, 2021 | | 2021 |
| POCSTagger: Identifying part-of-chemical-speech with transformers A Toniato, P Schwaller, A Vaucher, T Laino American Chemical Society (ACS) Fall Meeting, 2021 | | 2021 |
Teodoro LainoIBM Research ZurichVerified email at zurich.ibm.com
