Combining Group-Contribution Concept and Graph Neural Networks Toward Interpretable Molecular Property Models. - Adem R. N. Aouichaoui; Fan Fan; Seyed Soheil Mansouri; Jens Abildskov; Gürkan Sin (J. Chem. Inf. Model., 2023)

Application of interpretable group-embedded graph neural networks for pure compound properties. - Adem R. N. Aouichaoui; Fan Fan; Jens Abildskov; Gürkan Sin (Comput. Chem. Eng., 2023)

Fairer benchmark of group contribution and machine learning models for property prediction: A new data splitting strategy. - Adem R. N. Aouichaoui; Jingkang Liang; Jens Abildskov; Gürkan Sin (Comput. Chem. Eng., 2025)