Said Byadi, Philippe Gantzer, Timur Gimadiev, Pavel Sidorov. DOPtools: a Python platform for descriptor calculation and model optimization. Overview and usage guide. 2024
Philippe Gantzer, Ruben Staub, Yu Harabuchi, Satoshi Maeda, Alexandre Varnek. Chemography-guided analysis of a reaction path network for ethylene hydrogenation with a model Wilkinson’s catalyst. Molecular Informatics. 2024
Ruben Staub, Philippe Gantzer, Yu Harabuchi, Satoshi Maeda, Alexandre Varnek. Challenges for Kinetics Predictions via Neural Network Potentials: A Wilkinson’s Catalyst Case. Molecules. 2023
Philippe Gantzer. Development and comparison of inverse-QSPR approaches. 2021
Philippe Gantzer, Dragos Nieto-Draghi, Benoit Creton. Comparisons of Molecular Structure Generation Methods Based on Fragment Assemblies and Genetic Graphs. Journal of Chemical Information and Modeling. 2021. 61. 9. 4245-4258