Théophile Gaudin
Université de Technologie de Compiègne(FR)University of Toronto(CA)École Supérieure de Chimie Organique et Minérale(FR)Dassault Systèmes (United Kingdom)(GB)
Publications by Year
Research Areas
Computational Drug Discovery Methods, Machine Learning in Materials Science, Analytical Chemistry and Chromatography, Surfactants and Colloidal Systems, Spectroscopy and Quantum Chemical Studies
Most-Cited Works
- → “Found in Translation”: predicting outcomes of complex organic chemistry reactions using neural sequence-to-sequence models(2018)465 cited
- → A Comprehensive Discovery Platform for Organophosphorus Ligands for Catalysis(2022)306 cited
- → SELFIES and the future of molecular string representations(2022)250 cited
- → Molecular Transformer – A Model for Uncertainty-Calibrated Chemical Reaction Prediction(2018)191 cited
- → Impact of the chemical structure on amphiphilic properties of sugar-based surfactants: A literature overview(2019)93 cited
- → Mixture Descriptors toward the Development of Quantitative Structure–Property Relationship Models for the Flash Points of Organic Mixtures(2015)73 cited