Concepedia

Théophile Gaudin

TG

Statistics

Publications

26

Citations

1.7K

H-Index

18

Active since

2015

Affiliations

IBM Research - Zurich(Current)

University of Toronto

Vector Institute

Institut national de l'environnement industriel et des risques

Canadian Institute for Advanced Research

Théophile Gaudin is an author at IBM Research - Zurich specializing in chemistry, natural sciences, and computational chemistry.

Publications per year

2015–2024

26

Publications

26

“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 · 473 citations · Full text

Computing, Chemistry, Computer Science +17

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 · 321 citations

Natural Sciences, Chemical Engineering, Chemistry +15

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

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

Pharmacy, Chemistry, Medicinal Chemistry +13

Delocalized, asynchronous, closed-loop discovery of organic laser emitters

Felix Strieth‐Kalthoff, Han Hao, Vandana Rathore et al. · Science · 2024 · 137 citations · Full text

Natural Sciences, Materials Engineering, Materials Science +15

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 · 75 citations

Pharmacy, Chemistry, Computational Chemistry +15

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