Automated reaction database and reaction network analysis: extraction of reaction templates using cheminformatics. - Pieter P. Plehiers; Guy B. Marin; Christian V. Stevens; Kevin M. Van Geem (J. Cheminformatics, 2018)

pySODM: Simulating and optimizing dynamical models in Python 3. - Tijs W. Alleman; Christian V. Stevens; Jan M. Baetens (J. Comput. Sci., 2023)

Rxn-INSIGHT: fast chemical reaction analysis using bond-electron matrices. - Maarten R. Dobbelaere; István Lengyel; Christian V. Stevens; Kevin M. Van Geem (J. Cheminformatics, 2024)

Geometric deep learning for molecular property predictions with chemical accuracy across chemical space. - Maarten R. Dobbelaere; István Lengyel; Christian V. Stevens; Kevin M. Van Geem (J. Cheminformatics, 2024)