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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Bibliographic Details
Published in:	Journal of molecular graphics & modelling Vol. 136; p. 108957
Main Authors:	A, Pradeepa, P, Arathi
Format:	Journal Article
Language:	English
Published:	United States Elsevier Inc 01.05.2025
Subjects:	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
Online Access:	Get full text
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