From molecular connectivity indices to semiempirical connectivity terms: recent trends in graph theoretical descriptors
L Pogliani - Chemical Reviews, 2000 - ACS Publications
Many structure-property studies use graph theoretical indices that are based on the
topological properties of a molecule viewed as a graph. The main goal of topology is always …
topological properties of a molecule viewed as a graph. The main goal of topology is always …
Physical analysis of heat for formation and entropy of Ceria Oxide using topological indices
Background: Cerium oxide nanoparticles (CeO2 NPs) have gained their importance as
engineered nanomaterials (ENMs) that have wide applications as catalysts in industry …
engineered nanomaterials (ENMs) that have wide applications as catalysts in industry …
Computation of some important degree-based topological indices for γ-graphyne and Zigzag graphyne nanoribbon
Topological indices serve as mathematical tools for characterising the molecular structure of
a compound, and are useful to anticipate its properties. Actually, these are quantitative …
a compound, and are useful to anticipate its properties. Actually, these are quantitative …
[HTML][HTML] Quantitative structure-property relationships (QSPR) of valency based topological indices with Covid-19 drugs and application
The purpose of this analysis is to establish a quantitative structure–property relationship
(QSPR) between eV and ve-degree based topological descriptors and measured …
(QSPR) between eV and ve-degree based topological descriptors and measured …
On a novel connectivity index
B Zhou, N Trinajstić - Journal of mathematical chemistry, 2009 - Springer
We present a novel connectivity index for (molecular) graphs, called sum-connectivity index
and give several basic properties for this index, especially lower and upper bounds in terms …
and give several basic properties for this index, especially lower and upper bounds in terms …
Statistical significance of valency-based topological descriptors for correlating thermodynamic properties of benzenoid hydrocarbons with applications
This paper employs valency descriptors to investigate their predictive potential for
determining thermodynamic properties of benzenoid hydrocarbons. It is customary to …
determining thermodynamic properties of benzenoid hydrocarbons. It is customary to …
Study of hardness of superhard crystals by topological indices
Topological indices give immense information about a molecular structure or chemical
structure. The hardness of materials for the indentation can be defined microscopically as …
structure. The hardness of materials for the indentation can be defined microscopically as …
Topological indices of some chemical structures applied for the treatment of COVID-19 patients
The novel coronavirus disease 2019 (COVID-19) emerged in Wuhan, China, and has
spread rapidly to nearly every part of the world. Unfortunately, no drug or vaccine has been …
spread rapidly to nearly every part of the world. Unfortunately, no drug or vaccine has been …
Correlation ability of degree-based topological indices for physicochemical properties of polycyclic aromatic hydrocarbons with applications
Several chemical and medical experimentation reveals a dependence of physicochemical
and biological properties of a compound on its molecular structure. Molecular/topological …
and biological properties of a compound on its molecular structure. Molecular/topological …
Computing topological indices of certain networks
A topological index is actually designed by transforming a chemical structure into a number.
These topological indices associate certain physico-chemical properties like boiling point …
These topological indices associate certain physico-chemical properties like boiling point …