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Open access Sep 2026

Interpretable substructure-based screening of multi-property polymer dielectrics with prompt-ready rules for rational design

High-performance polymer dielectrics remain difficult to discover because transparent connections between molecular substructures and macroscopic properties are lacking. Existing machine-learning approaches often rely on black-box representations that obscure the chemical origins of thermal and electrical behavior. H...

Wei-Hao Wang, Ha-Oou Ruan, Keith T. Butler et al. · 0 citations

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