François Duprat

4PUBLICATIONS
1CO-AUTHORS
Computational chemistryWater treatment processesComputational methods in fluid flow, heat and mass transfer (incl. computational fluid dynamics)Statistical mechanics in chemistry
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Publications (4)

|Jul 13, 2024
Can Graph Machines Accurately Estimate 13C NMR Chemical Shifts of Benzenic Compounds?

François Duprat, Jean-Luc Ploix, Gérard Dreyfus

|Nov 07, 2022
Fast Prediction of the Equivalent Alkane Carbon Number Using Graph Machines and Neural Networks.

Lucie Delforce, François Duprat, Jean-Luc Ploix

|Apr 07, 2020
A New Machine-Learning Tool for Fast Estimation of Liquid Viscosity. Application to Cosmetic Oils.

Valentin Goussard, François Duprat, Jean-Luc Ploix

|Nov 02, 2017
Predicting the Surface Tension of Liquids: Comparison of Four Modeling Approaches and Application to Cosmetic Oils.

Valentin Goussard, François Duprat, Vincent Gerbaud

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Frequent Collaborators

2 joint publications

Véronique Nardello-Rataj