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Author

Yi Pan

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Jul 2026

MSMPP: Molecular Property Prediction by Integrating Multi-scale Multi-view information with pretrained 3D molecular large model representation.

Evaluations on eight MoleculeNet datasets show that MSMPP significantly outperforms state-of-the-art models, demonstrating its effectiveness in integrating multi-view intra-molecular features, inter-molecular features and cross-task information.

Jiongfeng Chen, Yulian Ding, Yan Yan et al. · 0 citations
Review Open access 2026

Physics-informed deep learning: A new paradigm for macromolecular recognition and rational protein design

By delineating how physics-based priors synergize with data-driven representation learning, this review provides a comprehensive roadmap for generating physically plausible and thermodynamically stable therapeutics, ultimately accelerating the transition of computationally designed molecules from in silico blueprints to viable clinical candidates.

Hao-Bo Xie, Hao Wang, Xiao-Jun Yao et al. · 0 citations

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