Automated extraction of chemical synthesis actions from experimental procedures AC Vaucher, F Zipoli, J Geluykens, VH Nair, P Schwaller, T Laino Nature communications 11 (1), 3601, 2020 | 128 | 2020 |
Inferring experimental procedures from text-based representations of chemical reactions AC Vaucher, P Schwaller, J Geluykens, VH Nair, A Iuliano, T Laino Nature communications 12 (1), 2573, 2021 | 54 | 2021 |
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 | 34 | 2021 |
Exploring the efficacy of generic drugs in treating cancer I Baldini, M Bernagozzi, S Aggarwal, M Bornea, S Chawla, J Geluykens, ... Proceedings of the AAAI Conference on Artificial Intelligence 35 (18), 15988 …, 2021 | 3 | 2021 |
Neural machine translation for conditional generation of novel procedures J Geluykens, S Mitrović, CE Ortega Vázquez, T Laino, A Vaucher, ... | 1 | 2021 |
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 | | 2023 |
Cloud-based AI-driven autonomous lab T Laino American Physical Society (March Meeting), 2023 | | 2023 |
Learning from literature-extracted synthesis actions for organic synthesis A Vaucher, P Schwaller, J Geluykens, F Zipoli, T Laino Applied Machine Learning Days at EPFL, 2022 | | 2022 |
Generating organic synthesis procedures from simplified molecular-input line-entry system reaction L Georgopoulos, J Geluykens, AC Vaucher, P Schwaller, A Sobczyk, ... US Patent App. 16/995,853, 2022 | | 2022 |
Running multiple experiments simultaneously on an array of chemical reactors L Georgopoulos, A Sobczyk, AC Vaucher, P Schwaller, VH Nair, ... US Patent App. 16/995,858, 2022 | | 2022 |
Multiple chemical programs for an array of chemical reactors with a single array of reactants L Georgopoulos, A Sobczyk, AC Vaucher, P Schwaller, J Geluykens, ... US Patent App. 16/995,862, 2022 | | 2022 |
Proposing a Case Study Combining Transdisciplinary and Data-Centered Methods for Understanding Complex Problems in an Educational Context JC Herrmann, T Van Wesemael, H Caralp, JR Nova Blanco Transdisciplinary Insights 3 (1), 70-83, 2019 | | 2019 |