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Guan-Hua Chen

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Preprint Oct 2026

Accurate Molecular Property Regression Using Simple Fusion of Complementary Classical and Graph Predictors

A chemistry-guided classical branch from Morgan fingerprints, RDKit molecular descriptors, and conformer-derived geometric features selected to provide complementary views of molecular structure is constructed, showing that accurate and transferable molecular property regression does not necessarily require a complex j...

Fei Yu, Jie Liu, Guan-Hua Chen et al. · 0 citations

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