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Xian-Fa Cai

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Open access 2026

MUIGSL: Molecular Uncertainty-Aware Iterative Graph Structure Learning for Molecular Property Prediction

Molecular Property Prediction (MPP) is a core task in computer-aided drug discovery. Traditional methods primarily focus on intramolecular information propagation while neglecting intermolecular relationships. While recent graph structure learning methods attempt to construct intermolecular graphs, they often ignore di...

Wei-Dong Wu, Yan Li, Xian-Fa Cai et al. · IEEE Access · 0 citations