Stephane Rodde
Orcid: 0000-0001-6559-2420
According to our database1,
Stephane Rodde
authored at least 6 papers
between 2015 and 2024.
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Collaborative distances:
Timeline
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Bibliography
2024
Reactivities of acrylamide warheads toward cysteine targets: a QM/ML approach to covalent inhibitor design.
J. Comput. Aided Mol. Des., December, 2024
2021
ReSCoSS: a flexible quantum chemistry workflow identifying relevant solution conformers of drug-like molecules.
J. Comput. Aided Mol. Des., 2021
2019
Prediction of pKa Using Machine Learning Methods with Rooted Topological Torsion Fingerprints: Application to Aliphatic Amines.
J. Chem. Inf. Model., 2019
2018
High accuracy quantum-chemistry-based calculation and blind prediction of macroscopic pKa values in the context of the SAMPL6 challenge.
J. Comput. Aided Mol. Des., 2018
2017
J. Chem. Inf. Model., August, 2017
2015
Benefit of Retraining p<i>K</i><sub>a</sub> Models Studied Using Internally Measured Data.
J. Chem. Inf. Model., 2015