Exploring physico-chemical properties of HIV/AIDS drugs using neighborhood topological indices of molecular graphs

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dc.authoridYasin, Faisal/0009-0002-8619-4901
dc.authoridHassan, Ahmed/0000-0002-1369-326X
dc.contributor.authorYasin, Faisal
dc.contributor.authorAfzal, Zeeshan
dc.contributor.authorChaudhary, Faryal
dc.contributor.authorAkgul, Ali
dc.contributor.authorHassan, Ahmad M.
dc.contributor.authorKaramat, Muhammad
dc.date.accessioned2024-12-24T19:25:08Z
dc.date.available2024-12-24T19:25:08Z
dc.date.issued2024
dc.departmentSiirt Üniversitesi
dc.description.abstractIn this study, we investigate the efficacy of neighborhood-degree-based topological indices in the modeling of drug properties pertinent to HIV/AIDS. By representing molecular structures as graphs, we delve deep into atom-level environments, uncovering intricate relationships between local topological attributes and theoretical characteristics. Through meticulous quantitative structure-property relationship analysis, we establish robust correlations between these indices and drug properties. This breakthrough augurs predictive insights in the realm of pharmaceutical research, reducing the need for exhaustive experimentation. Our research underscores the pivotal role played by neighborhood-degree-based topological indices in advancing drug discovery, offering a powerful tool that resonates with chemists and industry professionals. It marks a transformative step in the trajectory of pharmaceutical development, promising to redefine and enhance the future of drug design and innovation.
dc.identifier.doi10.1007/s42452-024-05636-4
dc.identifier.issn3004-9261
dc.identifier.issue3
dc.identifier.scopus2-s2.0-85195076169
dc.identifier.scopusqualityQ1
dc.identifier.urihttps://doi.org/10.1007/s42452-024-05636-4
dc.identifier.urihttps://hdl.handle.net/20.500.12604/6282
dc.identifier.volume6
dc.identifier.wosWOS:001178825300001
dc.identifier.wosqualityN/A
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherSpringer
dc.relation.ispartofDiscover Applied Sciences
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/openAccess
dc.snmzKA_20241222
dc.titleExploring physico-chemical properties of HIV/AIDS drugs using neighborhood topological indices of molecular graphs
dc.typeArticle

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