Advancing QSPR with sum-connectivity descriptors: physicochemical and antibacterial modelling via molecular graph connectivity

Abstract Quantitative structure-activity and structure-property relationship (QSAR/QSPR) modelling uses molecular descriptors to relate chemical structure to physicochemical behaviour and biological activity. In this study, we propose a new family of descriptors, termed sum-connectivity descriptor,...

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Autores principales:	Azzam Altairi, Mohammed Alsharafi, Zaied Alhaj
Formato:	Artigo
Lenguaje:	Inglês
Publicado:	Springer 2026-07-01
Colección:	Journal of Saudi Chemical Society
Materias:	Sum-connectivity descriptors Molecular graph theory Degree-based descriptors Extremal bounds QSPR/QSAR Antibacterial activity
Acceso en línea:	https://doi.org/10.1007/s44442-026-00105-6
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