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ORCIDAlain C. Vaucher
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Journal Articles
- 2023
[j6]Miruna T. Cretu
, Alessandra Toniato, Amol Thakkar, Amin A Debabeche, Teodoro Laino, Alain C. Vaucher:
Standardizing chemical compounds with language models. Mach. Learn. Sci. Technol. 4(3): 35014 (2023)- 2021
- [j5]Philippe Schwaller, Alain C. Vaucher, Teodoro Laino, Jean-Louis Reymond:
Prediction of chemical reaction yields using deep learning. Mach. Learn. Sci. Technol. 2(1): 15016 (2021) - [j4]Philippe Schwaller, Daniel Probst, Alain C. Vaucher, Vishnu H. Nair, David Kreutter, Teodoro Laino, Jean-Louis Reymond:
Mapping the space of chemical reactions using attention-based neural networks. Nat. Mach. Intell. 3(2): 144-152 (2021) - 2019
- [j3]Nathan Brown, Marco Fiscato, Marwin H. S. Segler, Alain C. Vaucher:
GuacaMol: Benchmarking Models for de Novo Molecular Design. J. Chem. Inf. Model. 59(3): 1096-1108 (2019) - 2016
- [j2]Alain C. Vaucher, Moritz P. Haag, Markus Reiher:
Real-time feedback from iterative electronic structure calculations. J. Comput. Chem. 37(9): 805-812 (2016) - [j1]Alain C. Vaucher, Markus Reiher:
Molecular Propensity as a Driver for Explorative Reactivity Studies. J. Chem. Inf. Model. 56(8): 1470-1478 (2016)
Conference and Workshop Papers
- 2021
- [c1]Joppe Geluykens, Sandra Mitrovic, Carlos Ortega Vázquez, Teodoro Laino, Alain C. Vaucher, Jochen De Weerdt:
Neural Machine Translation for Conditional Generation of Novel Procedures. HICSS 2021: 1-10
Informal and Other Publications
- 2020
- [i3]Philippe Schwaller, Daniel Probst, Alain C. Vaucher, Vishnu H. Nair, David Kreutter, Teodoro Laino, Jean-Louis Reymond:
Mapping the Space of Chemical Reactions Using Attention-Based Neural Networks. CoRR abs/2012.06051 (2020) - 2019
- [i2]Silvia Amabilino, Lars A. Bratholm, Simon J. Bennie, Alain C. Vaucher, Markus Reiher, David R. Glowacki:
Training neural nets to learn reactive potential energy surfaces using interactive quantum chemistry in virtual reality. CoRR abs/1901.05417 (2019) - 2018
- [i1]Nathan Brown, Marco Fiscato, Marwin H. S. Segler, Alain C. Vaucher:
GuacaMol: Benchmarking Models for De Novo Molecular Design. CoRR abs/1811.09621 (2018)
Coauthor Index
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