Alain C. Vaucher

Publication Activity (10 Years)

Years Active: 2016-2023
Publications (10 Years): 10

Top Topics

Machine Transliteration

Brazilian Portuguese

Chemical Reaction

Top Venues

Mach. Learn. Sci. Technol.

J. Chem. Inf. Model.

Publications

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) (2023)
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)
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) (2021)
Philippe Schwaller, Alain C. Vaucher, Teodoro Laino, Jean-Louis Reymond
Prediction of chemical reaction yields using deep learning. Mach. Learn. Sci. Technol. 2 (1) (2021)
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 (2020)
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 (2019)
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) (2019)
Nathan Brown, Marco Fiscato, Marwin H. S. Segler, Alain C. Vaucher
GuacaMol: Benchmarking Models for De Novo Molecular Design. CoRR (2018)
Alain C. Vaucher, Markus Reiher
Molecular Propensity as a Driver for Explorative Reactivity Studies. J. Chem. Inf. Model. 56 (8) (2016)
Alain C. Vaucher, Moritz P. Haag, Markus Reiher
Real-time feedback from iterative electronic structure calculations. J. Comput. Chem. 37 (9) (2016)