Open access
Aug 2026
MSGRL: A Motif-Driven Self-Supervised Graph Representation Learning Framework for Interpretable Molecular Property Prediction
Experiments on eight MoleculeNet benchmark datasets show that MSGRL achieves the highest ROC-AUC scores on all five classification datasets and the lowest RMSE on Lipophilicity, while its performance on ESOL and FreeSolv is more mixed.
You Wu, Yu-Xin Jiang, Xiao-Yun Qi et al.
· Molecules · 0 citations