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Sep 2026

Predicting Dual-Target Antibacterial Activity and SARS-CoV-2 Docking Affinity of Pendant-Armed Copper (II) Metallodrugs: A Neighborhood Topological and Graph Entropy Approach

This study establishes a purely structural, laboratory-free framework for ranking the biomedical efficacy of discrete coordination compounds using advanced chemical graph theory. Focus is placed on six pendant-armed mixed-ligand copper(II) complexes, [CuL  ^(1-3) (diimine)] (1-6), featuring varying degrees of nitro sub...

Mythili V · 0 citations

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