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)