Search

Counting polynomials are closely related to certain features of chemical graphs and provide an elegant means of expressing graph topological invariants. The current paper aims to calculate four polynomials for double benzenoid chains, Sadhana, omega, theta, and Padmakar–Ivan (PI). The edge-cut method is used to derive analytical closed expressions for these polynomials.

A topological index is a molecular descriptor derived from the molecular structure of a chemical substance. These indices can be used to analyze mathematical values and predict various physical properties of drugs. This article discusses tofacitinib, leflunomide, upadacinib, baricitinib, filgotinib, methotrexate, and other drugs used to treat rheumatoid arthritis, and the goal of the QSPR study is to calculate the relationship between the properties under investigation (e.g., boiling point, polarity, and molar volume) and molecular descriptors. Topological indices (TIs) were imposed on said drugs to calculate the correlation with physicochemical properties in this course.

A topological index is a real number obtained from the chemical graph structure. It is helpful to calculate the physicochemical and biological properties of numerous drugs. This is done through degree-based topological indices. In this paper, acarbose, tolazamide, miglitol, prandin, metformin, and so on used to treat diabetes are discussed, and the purpose of the QSPR study is to determine the mathematical relation between the properties under investigation (e.g., boiling point and flash point) and different descriptors related to the molecular structure of the drugs. In this study, it is observed that topological indices (TIs) applied to said drugs have a good correlation with physicochemical properties in this course.

A topological index is a real number obtained from the chemical graph structure. It can predict the physicochemical and biological properties of many anticancer medicines like blood, breast and skin cancer. This can be done through degree-based topological indices.. In this article, the drugs, azacitidine, buslfan, mercaptopurine, tioguanine, nelarabine, etc. which are used in order to cure blood cancer are discussed and the purpose of the QSPR study is to determine the mathematical relation between the properties under investigation (eg, boiling point, flash point etc.) and different descriptors related to molecular structure of the drugs. It is found that topological indices (TIs) applied on said drugs have a good correlation with physicochemical properties in this context.