MolGraph: a Python package for the implementation of small molecular graphs and graph neural networks with TensorFlow and Keras. - Alexander Kensert; Gert Desmet; Deirdre Cabooter (CoRR, 2022)

Evaluation Metrics in Saliency Maps Applied to Graph Regression. - Natàlia Segura-Alabart; Alberto Fernández 003; Alexander Kensert; Deirdre Cabooter; Francesc Serratosa (S+SSPR, 2024)

MolGraph: a Python package for the implementation of molecular graphs and graph neural networks with TensorFlow and Keras. - Alexander Kensert; Gert Desmet; Deirdre Cabooter (J. Comput. Aided Mol. Des., 2025)