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Xiao-Yun Qi

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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