Privileged structure-based molecular fingerprints for organic electronic materials: towards intuitive machine learning interpretation

Molecular descriptors are central to the performance and interpretability of QSPR models, yet most existing fingerprints for organic electronics lack chemical relevance or interpretability. Here, we present the Organic Electronic Fingerprint (OEFP), a structure-based representation tailored for OLED and OPV materials. OEFP was constructed from a manually curated OLED dataset and publicly available OPV and chromophore datasets to ensure structural diversity. Synthetically accessible substructures