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Théophile Gaudin
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2020 – today
- 2024
- [i5]Antonia Calvi, Théophile Gaudin, Dominik Miketa, Dominique Sydow, Liam Wilbraham:
Leap: molecular synthesisability scoring with intermediates. CoRR abs/2403.13005 (2024) - 2023
- [j2]Stanley Lo, Martin Seifrid, Théophile Gaudin, Alán Aspuru-Guzik:
Augmenting Polymer Datasets by Iterative Rearrangement. J. Chem. Inf. Model. 63(14): 4266-4276 (2023) - 2022
- [j1]Mario Krenn, Qianxiang Ai, Senja Barthel, Nessa Carson, Angelo Frei, Nathan C. Frey, Pascal Friederich, Théophile Gaudin, Alberto Alexander Gayle, Kevin Maik Jablonka, Rafael F. Lameiro, Dominik Lemm, Alston Lo, Seyed Mohamad Moosavi, José Manuel Nápoles-Duarte, AkshatKumar Nigam, Robert Pollice, Kohulan Rajan, Ulrich Schatzschneider, Philippe Schwaller, Marta Skreta, Berend Smit, Felix Strieth-Kalthoff, Chong Sun, Gary Tom, Guido Falk von Rudorff, Andrew Wang, Andrew D. White, Adamo Young, Rose Yu, Alán Aspuru-Guzik:
SELFIES and the future of molecular string representations. Patterns 3(10): 100588 (2022) - [i4]Mario Krenn, Qianxiang Ai, Senja Barthel, Nessa Carson, Angelo Frei, Nathan C. Frey, Pascal Friederich, Théophile Gaudin, Alberto Alexander Gayle, Kevin Maik Jablonka, Rafael F. Lameiro, Dominik Lemm, Alston Lo, Seyed Mohamad Moosavi, José Manuel Nápoles-Duarte, AkshatKumar Nigam, Robert Pollice, Kohulan Rajan, Ulrich Schatzschneider, Philippe Schwaller, Marta Skreta, Berend Smit, Felix Strieth-Kalthoff, Chong Sun, Gary Tom, Guido Falk von Rudorff, Andrew Wang, Andrew D. White, Adamo Young, Rose Yu, Alán Aspuru-Guzik:
SELFIES and the future of molecular string representations. CoRR abs/2204.00056 (2022) - 2020
- [i3]Théophile Gaudin, Oliver Schilter, Federico Zipoli, Teodoro Laino:
Advanced Data-Driven Manufacturing. ERCIM News 2020(122) (2020)
2010 – 2019
- 2018
- [i2]Philippe Schwaller, Teodoro Laino, Théophile Gaudin, Peter Bolgar, Costas Bekas, Alpha A. Lee:
Molecular Transformer for Chemical Reaction Prediction and Uncertainty Estimation. CoRR abs/1811.02633 (2018) - 2017
- [i1]Philippe Schwaller, Théophile Gaudin, David Lanyi, Costas Bekas, Teodoro Laino:
"Found in Translation": Predicting Outcomes of Complex Organic Chemistry Reactions using Neural Sequence-to-Sequence Models. CoRR abs/1711.04810 (2017) - 2016
- [c1]Ahmed Samet, Théophile Gaudin, Huiling Lu, Anne Wadouachi, Gwladys Pourceau, Elisabeth Van Hecke, Isabelle Pezron, Karim El Kirat, Tien-Tuan Dao:
Predictive Model Based on the Evidence Theory for Assessing Critical Micelle Concentration Property. IPMU (1) 2016: 510-522
Coauthor Index
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