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Open access Aug 2026

Exact Distance-Based Topological Indices Of Double Star Double Fanbell Graphs With Applications In Chemical Graph Theory, QSPR/QSAR Modeling, And Drug Discovery

This paper presents a new graph family called Double Star Double Fanbell (BSDF) which consists of double star graph with each pendant vertex added with a double fan graph, which provides a proper model for the highly branched organic compounds, dendrimer, hyperbranched polymers, and functional nanomaterials.

Babysuganya K, Maheswari M, N. A et al. · 0 citations
Open access Sep 2026

QSPR analysis using stress sum based topological indices for predicting physicochemical properties of Hodgkin lymphoma drugs

Molecular graph theory has been widely used to represent the structure of chemical compounds and to study their physicochemical properties. In this work, we introduce a set of stress sum-based indices and examine their usefulness in describing the structural characteristics of drugs used in Hodgkin lymphoma treatment....

A. Sivaranjani, K. B. Dharan, S. Radha · 0 citations
Open access Aug 2026

Quantitative Analysis of Status-Based Topological Indices for Predictive Modeling of Molecular Properties

Polycyclic aromatic hydrocarbons (PAHs) are a class of aromatic molecules consisting of multiple fused benzene rings. In chemical graph theory, topological indices play a crucial role in exploring structure-property relationships and in forecasting physicochemical behavior and biological responses of PAH compounds. Suc...

Jalappa Meti, Boregowda H. S., V. N · 0 citations
Open access Aug 2026

Degree-based topological indices and their graph energies in the QSPR analysis and ranking of UV-filter compounds

Ultraviolet (UV) filters are essential ingredients in sunscreens and personal care products, and understanding their physicochemical properties is important for evaluating their performance and applicability. In this study, selected degree-based topological indices and their corresponding graph-energy descriptors were...

Merin Manuel, Parthiban Angamuthu · 0 citations
Open access Aug 2026

M-polynomial Based Topological Analysis and Comparative Study of SiC3 Networks

Topological indices are numerical descriptors used in chemical graph theory to characterize the size, branching and connectivity of molecular structures. These descriptors are significantly correlated with a range of physicochemical characteristics and biological activities of a molecular compound. Recently, the M-poly...

Shibsankar Das, Shahzadi Nargis · 0 citations
Open access Sep 2026

Numerical Prediction of Physicochemical Properties of Drug Structures via Some Graph Parameters

An exploratory investigation into the physicochemical properties of 10 selected drug and bioactive molecules from diverse therapeutic classes to evaluate bulk size-dependent properties using these fundamental graph parameters highlights the potential of these fundamental graph parameters in QSPR modeling.

Mukaddes Ökten Turacı · 0 citations

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