Related papers: Fifth Geometric--Arithmetic Index VS Atom--Bond Co…
There are various topological indices for example distance based topological indices and degree based topological indices etc. In QSAR/QSPR study, physiochemical properties and topological indices for example atom bond connectivity index,…
The concepts of geometric-arithmetic and harmonic indices were introduced in the area of chemical graph theory recently. They have proven to correlate well with physical and chemical properties of some molecules. The aim of this paper is to…
The atom-bond connectivity (ABC) index is a degree-based molecular structure descriptor that can be used for modelling thermodynamic properties of organic chemical compounds. Motivated by its applicable potential, a series of investigations…
The first geometric-arithmetic (GA) index and atom-bond connectivity (ABC) index are molecular structure descriptors which play a significant role in quantitative structure-property relationship (QSPR) and quantitative structure-activity…
The arithmetic-geometric index is a newly proposed degree-based graph invariant in mathematical chemistry. We give a sharp upper bound on the value of this invariant for connected chemical graphs of given order and size and characterize the…
The concept of geometric-arithmetic index was introduced in the chemical graph theory recently, but it has shown to be useful. The aim of this paper is to obtain new inequalities involving the geometric-arithmetic index $GA_1$ and…
The atom-bond connectivity (ABC) index is a degree-based topological index. It was introduced due to its applications in modeling the properties of certain molecular structures and has been since extensively studied. In this note, we…
The concept of geometric-arithmetic index was introduced in the chemical graph theory recently, but it has shown to be useful. The aim of this paper is to obtain new inequalities involving the geometric-arithmetic index $GA_1$ and…
The atom-bond-connectivity (ABC) index is one of the well-investigated degree-based topological indices. The atom-bond sum-connectivity (ABS) index is a modified version of the ABC index, which was introduced recently. The primary goal of…
Topological indices are molecular descriptors that describe the properties of chemical compounds. These topological indices correlate specific physico-chemical properties like boiling point, enthalpy of vaporization, strain energy, and…
Topological indices are scientific details of graphs which represents its topology and of the most part graph invariant. In QSAR/QSPR, physico-chemical characteristics and topological indices, for example, atom bond connectivity (ABC) and…
A topological index reflects the physical, chemical and structural properties of a molecule, and its study has an important role in molecular topology, chemical graph theory and mathematical chemistry. It is a natural problem to…
Topological indices are graph invariants numeric quantities, which are utilized by researchers to analyze a variety of physiochemical aspects of molecules. The goal of developing topological indices is to give each chemical structure a…
Supervised machine learning models are trained with various molecular descriptors to predict infrared emission spectra of interstellar polycyclic aromatic hydrocarbons. We demonstrate that a feature importance analysis based on the random…
There are various topological indices such as degree based topological indices, distance based topological indices and counting related topological indices etc. These topological indices correlate certain physicochemical properties such as…
The concept of geometric-arithmetic index was introduced in the chemical graph theory recently, but it has shown to be useful. The aim of this paper is to obtain new inequalities involving the geometric-arithmetic index $GA_1$ and…
The numerical values extracted from a graph that indicates its topology are called topological indices. A contemporary and efficient method is to compute a graph's topological indices using the graph polynomial that corresponds to it. This…
Topological index is a numerical value associated with chemical constitution for correlation of chemical structure with various physical properties, chemical reactivity or biological activity. In this work, some new indices based on…
Theoretical molecular descriptors alias topological indices are a convenient means for expressing in a numerical form the chemical structure encoded in a molecular graph. The structure descriptors derived from molecular graphs are widely…
The paper discusses the edge hyper-Zagreb index of a graph, which is calculated by replacing vertex degrees with edge degrees. The degree of an edge is determined by adding up the degrees of the end vertices of the edge and subtracting 2.…