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Stephane Rodde
Stephane Rodde
Novartis
Chemistry
Computational chemistry
Bioinformatics
Machine learning
Artificial intelligence
8
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104
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Strategies to Tackle the Waste Water from α-Tocopherol-Derived Surfactant Chemistry
2021
Organic Process Research & Development
Christoph Krell
Robert Schreiber
Lukas Hueber
Luca Sciascera
Xiaoming Zheng
Adrian Clarke
Ruedi Haenggi
Michael Parmentier
Hajar Baguia
Stephane Rodde
Fabrice Gallou
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Citations (7)
Prediction of pKa Using Machine Learning Methods with Rooted Topological Torsion Fingerprints: Application to Aliphatic Amines
2019
Journal of Chemical Information and Modeling
Yipin Lu
Shankara Anand
William A. Shirley
Peter Gedeck
Brian Kelley
Suzanne Skolnik
Stephane Rodde
Mai Nguyen
Mika Lindvall
Weiping Jia
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Citations (6)
High accuracy quantum-chemistry-based calculation and blind prediction of macroscopic pKa values in the context of the SAMPL6 challenge
2018
Journal of Computer-aided Molecular Design
Philipp Pracht
Rainer Wilcken
Anikó Udvarhelyi
Stephane Rodde
Stefan Grimme
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Citations (28)
Benefit of Retraining pKa Models Studied Using Internally Measured Data
2015
Journal of Chemical Information and Modeling
Peter Gedeck
Yipin Lu
Suzanne Skolnik
Stephane Rodde
Gavin Dollinger
Weiping Jia
Giuliano Berellini
Riccardo Vianello
Bernard Faller
Franco Lombardo
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Citations (13)
What is modulating solubility in simulated intestinal fluids
2010
European Journal of Pharmaceutical Sciences
Giorgio Ottaviani
Daniel J. Gosling
Celine Patissier
Stephane Rodde
Liping Zhou
Bernard Faller
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Citations (43)
1