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Publications by authors named "Philippe Gantzer"

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Chemography-guided analysis of a reaction path network for ethylene hydrogenation with a model Wilkinson's catalyst.
Philippe Gantzer, Ruben Staub, Yu Harabuchi, Satoshi Maeda, Alexandre Varnek

Mol Inform· January 2025


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SynPlanner: An End-to-End Tool for Synthesis Planning.
Tagir Akhmetshin, Dmitry Zankov, Philippe Gantzer, Dmitry Babadeev, Anna Pinigina

J Chem Inf Model· January 2025


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Challenges for Kinetics Predictions via Neural Network Potentials: A Wilkinson's Catalyst Case.
Ruben Staub, Philippe Gantzer, Yu Harabuchi, Satoshi Maeda, Alexandre Varnek

Molecules· May 2023


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Comparisons of Molecular Structure Generation Methods Based on Fragment Assemblies and Genetic Graphs.
Philippe Gantzer, Benoit Creton, Carlos Nieto-Draghi

J Chem Inf Model· September 2021


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Inverse-QSPR for de novo Design: A Review.
Philippe Gantzer, Benoit Creton, Carlos Nieto-Draghi

Mol Inform· April 2020


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