On topological characterizations and computational analysis of benzenoid networks for drug discovery and development

Topological indices are numerical invariants that provide key insights into the structural properties of molecular graphs and are crucial in predicting physio-chemical and biological activities. This paper applies established computational methodologies for analyzing benzenoid networks and their app...

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Vydáno v:	Journal of molecular graphics & modelling Ročník 136; s. 108957
Hlavní autoři:	A, Pradeepa, P, Arathi
Médium:	Journal Article
Jazyk:	angličtina
Vydáno:	United States Elsevier Inc 01.05.2025
Témata:	Benzenoid networks Cheminformatics Drug Development Drug Discovery Models, Molecular Molecular Structure Polycyclic aromatic hydrocarbons Polycyclic Aromatic Hydrocarbons - chemistry Structure-based drug design Subject classification codes: 05C09, 05C31, 05C90, 92C15, 92E10 Topological indices Cheminformatics Subject classification codes: 05C09, 05C31, 05C90, 92C15, 92E10 Structure-based drug design Benzenoid networks Polycyclic aromatic hydrocarbons Topological indices
ISSN:	1093-3263, 1873-4243, 1873-4243
On-line přístup:	Získat plný text
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