Author

Nan Ning

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#graph neural networks Open access Sep 2026

Integrating Molecular Semantics and Three-Dimensional Geometry for Critical Property Prediction: A Multimodal GNN-BERT Framework

Accurate prediction of critical temperature, pressure, and volume is essential for thermodynamic modeling and process safety design, yet remains challenging for complex molecules under data-scarce conditions. Here, we develop a multimodal GNN-BERT framework that integrates SMILES-based chemical semantics with two-dimen...

Beibei Wang, Zhuoyao Lv, Nan Ning et al. · Molecules · 0 citations