2023/05/11 by A. Bharali, Bharali, A., Mohammad Essa Nazari +3
Chemistry · Computer Science · Mathematics · #05C92 (Secondary) #97K10 (Primary) #Chemical Physics (physics.chem-ph) #Computational Drug Discovery Methods #FOS: Physical sciences #Graph theory and applications #History and advancements in chemistry
paper · pdf · doi:10.48550/arxiv.2305.13260
openalex publication_date 2023/05/11 · openalex created_date 2023/05/24 · openalex updated_date 2026/07/28
To avoid extensive lab work on properties of chemical compounds, QSPR/QSAR analysis for topological descriptors is a productive statistical approach to analyze various physicochemical properties of chemical compounds. Many researchers have investigated on correlation of degree-based topological descriptors. In this article we present the predictive ability of 6 well known degree dependant topological indices of 22 lower poly cyclic aromatic hydrocarbons in three versions, and we have done a comparison analysis of three versions of considered topological indices for their predictive ability.