Topological indices (TIs) have several biological applications in the treatment of blood cancer. TIs can be used to predict efficacy drugs cancer by providing information about molecular structures and their related properties. By analyzing degree-based different drugs, researchers identify most effective for treating specific types Additionally, also toxicity which is essential developing safe treatments. Furthermore, aid discovery design new insights into relationship between structure...

Abstract Mathematical chemistry is concerned with the use of mathematics to solve problems in chemistry. A triangular chain graph a simple composed series triangles. This widely used formation cactus, boron clusters, nanotubes, and nanotubes. In this paper, first Zagreb connection index, modified second index for structures are calculated derived closed formulas them. Based on obtained numerical results, physicochemical properties these type can easily be investigated.

Metal-Organic Networks (MONs) are made by chemical molecules that contain metal ions and organic ligands. A crystalline porous solid called is up of a [Formula: see text] network held in place multidentate ligand. can be used for gas storage, purification drug delivery, separation, catalysis, sensing applications. There enormous potential effective integration research MONs diverse Molecular descriptors arithmetic measures reveal substance's physical characteristics its foundational natural...

Topological indices serve as mathematical tools for characterising the molecular structure of a compound, and are useful to anticipate its properties. Actually, these quantitative measures that can provide valuable information regarding molecule, such connectivity symmetry. By analysing indices, researchers make predictions about behaviour reactivity, solubility, toxicity, among others. The γ-Graphyne is fascinating carbon allotrope has recently gained significant attention due unique...

Abstract Topological indices (TIs) can be used to forecast molecules' biological activity, physicochemical features, and toxicity. The use of topological regression analysis help us better understand drug behavior contribute the development tailored drugs. This study investigates predictive potential efficacy K‐Banhatti Zagreb type degree‐based in quantitative structure–property relationship (QSPR) a comprehensive set medications for diabetes type‐I type‐II disease. are computed 14...

Research is continuously being pursued to treat cancer patients and prevent the disease by developing new medicines. However, experimental drug design development a costly, time-consuming, challenging process. Alternatively, computational mathematical techniques play an important role in optimally achieving this goal. Among these techniques, topological indices (TIs) have many applications drugs used for treatment of breast cancer. TIs can be utilized forecast effectiveness providing...

The purpose of this paper is to discuss the use topological indices (TIs) anticipate physical and biological aspects innovative drugs used in treatment Alzheimer’s disease. Degree-based are generated using edge partitioning assess Tacrine, Donepezil, Ravistigmine, Butein, Licochalcone-A Flavokqwain-A. Furthermore, linear regression, a quantitative structure–property relationship (QSPR) model developed predict characteristics such as boiling point (BP), flash (FP), molar volume (MV),...

The recent discovery of various forms carbon nanostructures inspired the researchers due to their uses in fields. Numerous production approaches for have been presented; doping, functionalization, chemical modification, and filling achieved, manipulation, characterization separation are now possible. On other hand, flexibility strength nanosheets make them potential candidates controlling further nanoscale structures, which indicates that they an important role nanotechnology engineering....

A two-mode network is a type of in which nodes can be divided into two sets such way that links established between different types nodes. The relationship separate entities modeled as bipartite network. In computer networks data transmitted form packets source to destination. Such packet-switched rely on routing protocols select the best path. Configurations these depends acquirements; why one protocol might efficient for and may inefficient other. Because some deal with hop-count (number...

The physical and biological properties of chemical compounds are modelled using graph theory. geometric structure can be a variety topological indices derived from structures, physicochemical characteristics, activities predicted by the real numbers molecular compound. index’s first use was to identify characteristics alkenes. A index is descriptor calculated compound’s describing its topology. When applied structure, it tells theoretical properties. studied as graph, where elements denoted...

The usefulness of different topological indices is inevitable in various fields such as Chemistry, Electronics, Economics and Business studies, medical social sciences. "purpose this paper to study" Wiener index for the Intuitionistic fuzzy graphs (IFG) some detail while keeping it parallel with connectivity index. Some other distance degree based have been defined an IFG. Moreover, Average has also At end, application presented water a pipeline network which very integral supply management.

Fuchsine acid is one of the supramolecular dyes used in Masson’s trichrome stain and has enormous applications histology. It also Van Gieson’s method with picric to show red collagen fibers smooth muscle contrast collagen. In addition these, it several other important electronic fields photonic devices as an organic semiconductor. Therefore, utmost importance investigate predict complex molecular topology fuchsine acid, which serves a foundation for link its physicochemical properties. this...

Abstract A numeric quantity that characterizes the whole structure of a network is called topological index. In studies QSAR and QSPR, indices are utilized to predict physical features related bioactivities chemical reactivity in certain networks. Materials for 2D nanotubes have extraordinary chemical, mechanical, capabilities. They extremely thin nanomaterials with excellent functionality anisotropy. Since, materials largest surface area thinnest all known materials, they ideal applications...

This paper investigates the random walks of octagonal cell network. By using Laplacian spectrum method, we obtain mean first passage time and Kemeny's constant between nodes. On one hand, is explicitly studied in terms eigenvalues a matrix. other introduced to measure node strength determine scaling walks. We provide an explicit expression for network, by their correlation among roots characteristic polynomial. Based on achieved results, comparative studies are also performed . work deliver...

Recent advances in graph-structured learning have demonstrated promising results on the graph classification task. However, making them scalable huge graphs with millions of nodes and edges remains challenging due to their high temporal complexity. In this paper, by decomposition theorem Laplacian polynomial characteristic we established an explicit closed-form formula global mean-first-passage time (GMFPT) for hexagonal model. Our method is based concept GMFPT, which represents expected...

Abstract The resistance distance between any two vertices of a connected graph is defined as the net effective them. An electrical network can be constructed from by replacing each edge with unit resistor. Resistance distances are computed methods theory resistive networks (based on Ohm’s and Kirchhoff’s laws). standard method to compute via Moore-Penrose generalized inverse Laplacian matrix underlying G. In this article, we used electric approach combinatorial approach, derive exact...

Quantitative structure-activity relationship (QSAR) represents quantitative correlation of biological structural features (called as topological indices) and pharmacological activity response endpoints. Topological index is a molecular descriptor extensively used to study QSAR pharmaceutical assess their characteristics by numerical computation. Meanwhile, the indices are functions which predict growth rate microorganisms in networks. Theoretical assessment microorganism, such bacteria...

Abstract Metal organic frameworks (MOFs) play a vital role in variety of processes such as heterogeneous catalysis, gas purification and division, biocompatibility, toxicity, biomedical applications. The Zinc-based MOFs, particularly, have gained prominence the industry for applications drug delivery, biosensing, cancer imaging, which has attracted interest researchers from around world. Given significant influence molecular structure on properties it is imperative to model characterize this...

Abstract Graphyne and Graphdiyne Nanoribbons reveal significant prospective with diverse applications. In electronics, they propose unique electronic properties for high-performance nanoscale devices, while in catalysis, their excellent surface area reactivity sort them valuable catalyst supports numerous chemical reactions, contributing to progresses sustainable energy environmental remediation. The topological indices (TIs) are numerical invariants that provide important information about...

A topological index is a structural descriptor of any molecule/nanostructure that characterizes its topology. In the QSAR and QSPR research, indices are employed to predict physical characteristics associated with bioactivities chemical reactivity within specific networks. 2D nanostructured materials have many exhibit numerous chemical, mechanical, features. These nanomaterials exceptionally thin, displaying high functionality anisotropy. For applications necessitating robust surface...

Abstract This article explores the structural properties of eleven distinct chemical graphs that represent sulfonamide drugs using topological indices by developing python algorithm. To find significant relationships between characteristics these networks and associated drugs. We use quantitative structure-property relationship (QSPR) approaches. In order to model forecast correlations provide insights into structure-activity are essential for drug design optimization, linear regression is a...