Topological Indices: Their Nature, Mutual Relatedness, and Applications
نویسندگان
چکیده
During the last two decades a large number of numerical graph invariants (topological indices) have been defined and used for correlation analysis in theoretical chemisty, pharmacology, toxicology, and environmental chemistry. However, no systematic study has been undertaken to determine to what extent these indices are correlated with each other. In the present paper we have carried out a principal component
منابع مشابه
Application of Graph Theory: Relationship of Topological Indices with the Partition Coefficient (logP) of the Monocarboxylic Acids
It is well known that the chemical behavior of a compound is dependent upon the structure of itsmolecules. Quantitative structure – activity relationship (QSAR) studies and quantitative structure –property relationship (QSPR) studies are active areas of chemical research that focus on the nature ofthis dependency. Topological indices are the numerical value associated with chemical constitution...
متن کاملRelationship between topological indices and thermodynamic properties and of the monocarboxylic acids applications in QSPR
Topological indices are the numerical value associated with chemical constitution purporting for correlation of chemical structure with various physical properties, chemical reactivity or biological activity. Graph theory is a delightful playground for the exploration of proof techniques in Discrete Mathematics and its results have applications in many areas of sciences. One of the useful indic...
متن کاملThe Structural Relationship Between Topological Indices and Some Thermodynamic Properties
The fact that the properties of a molecule are tightly connected to its structural characteristics is one of the fundamental concepts in chemistry. In this connection, graph theory has been successfully applied in developing some relationships between topological indices and some thermodynamic properties. So , a novel method for computing the new descriptors to construct a quantitative rela...
متن کاملQuantitative Structure-Property Relationship to Predict Quantum Properties of Monocarboxylic Acids By using Topological Indices
Abstract. Topological indices are the numerical value associated with chemical constitution purporting for correlation of chemical structure with various physical properties, chemical reactivity or biological activity. Graph theory is a delightful playground for the exploration of proof techniques in Discrete Mathematics and its results have applications in many areas of sciences. A graph is a ...
متن کاملTopological Indices Derived From Parts of a Universal Matrix
Using the approach of mutual contribution of vertices to the value of topological indices derived from parts of a universal matrix gave the idea how to develop new topological indices. Some of the newly developed indices are useful indices of Octane Numbers and of Critical Pressure of alkanes of equal carbon number, giving rise to abs(Rfit) > 0.99. Using them we estimated the missing data of Oc...
متن کامل