Théophile Gaudin

According to our database, Théophile Gaudin authored at least 8 papers between 2016 and 2024.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2024

Leap: molecular synthesisability scoring with intermediates.

Antonia Calvi, Théophile Gaudin, Dominik Miketa, Dominique Sydow, Liam Wilbraham

CoRR, 2024

2023

Augmenting Polymer Datasets by Iterative Rearrangement.

Stanley Lo, Martin Seifrid, Théophile Gaudin, Alán Aspuru-Guzik

J. Chem. Inf. Model., July, 2023

Algorithms for Self-driving Labs

Théophile Gaudin

PhD thesis, 2023

2022

SELFIES and the future of molecular string representations.

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

Patterns, 2022

2020

Advanced Data-Driven Manufacturing.

Théophile Gaudin, Oliver Schilter, Federico Zipoli, Teodoro Laino

ERCIM News, 2020

2018

Molecular Transformer for Chemical Reaction Prediction and Uncertainty Estimation.

Philippe Schwaller, Teodoro Laino, Théophile Gaudin, Peter Bolgar, Costas Bekas, Alpha A. Lee

CoRR, 2018

2017

"Found in Translation": Predicting Outcomes of Complex Organic Chemistry Reactions using Neural Sequence-to-Sequence Models.

Philippe Schwaller, Théophile Gaudin, David Lanyi, Costas Bekas, Teodoro Laino

CoRR, 2017

2016

Predictive Model Based on the Evidence Theory for Assessing Critical Micelle Concentration Property.

Ahmed Samet, Théophile Gaudin, Huiling Lu, Anne Wadouachi, Gwladys Pourceau, Elisabeth Van Hecke, Isabelle Pezron, Karim El Kirat, Tien-Tuan Dao

Proceedings of the Information Processing and Management of Uncertainty in Knowledge-Based Systems, 2016