Théophile Gaudin

“Found in Translation”: predicting outcomes of complex organic chemistry reactions using neural sequence-to-sequence models

Philippe Schwaller, Théophile Gaudin, Dávid Lányi et al. · Chemical Science · 2018 · 461 citations · Full text

Structured Prediction, Engineering, Machine Learning +20

A Comprehensive Discovery Platform for Organophosphorus Ligands for Catalysis

Tobias Gensch, Gabriel dos Passos Gomes, Pascal Friederich et al. · Journal of the American Chemical Society · 2022 · 300 citations

Molecular Transformer – A Model for Uncertainty-Calibrated Chemical Reaction Prediction

Philippe Schwaller, Teodoro Laino, Théophile Gaudin et al. · 2018 · 191 citations · Full text

Reaction Prediction, Engineering, Machine Learning +18

Mixture Descriptors toward the Development of Quantitative Structure–Property Relationship Models for the Flash Points of Organic Mixtures

Théophile Gaudin, Patricia Rotureau, Guillaume Fayet · Industrial & Engineering Chemistry Research · 2015 · 73 citations · Full text

Engineering, Chemical Analysis, Functional Property +20

Investigating the impact of sugar-based surfactants structure on surface tension at critical micelle concentration with structure-property relationships

Théophile Gaudin, Patricia Rotureau, Isabelle Pezron et al. · Journal of Colloid and Interface Science · 2018 · 48 citations · Full text

Engineering, Surface Science, Surfactants +7