Deep learning bears promise for drug discovery, including advanced image analysis,
prediction of molecular structure and function, and automated generation of innovative …

A molecular graph is a finite simple graph representing the carbon-atom skeleton of an
organic molecule of a hydrocarbon. Studying molecular graphs is a constant focus in …

Degree-Based Topological Indices† Page 1 † Dedicated to Professor Douglas Jay Klein on
the occasion of his 70th birthday. CROATICA CHEMICA ACTA CCACAA, ISSN 0011-1643 …

Abstract The Sombor index SO, the reduced Sombor index SO red, and the average Sombor
index SO avg have been introduced recently, and it was shown that they have good …

Mathematical modeling with the help of numerical coding of graphs has been used in the
different fields of science, especially in chemistry for the studies of the molecular structures. It …

For any real number α, the sum of the α-th powers of the degrees of a (molecular) graph G,
denoted by 0Rα (G), is known as the general zeroth–order Randic index as well as the …

Let G be a graph with vertex set V (G) and edge set E (G). The first and second multiplicative
Zagreb indices of G are Π1= n xeV (G) deg (x) 2 and Π2= n xyeE (G) deg (x) deg (y) …

Abstract Recently, Todeschini et al.(Novel Molecular Structure Descriptors-Theory and
Applications I, pp. 73-100, 2010), Todeschini and Consonni (MATCH Commun. Math …

If\(G=(\mathbf {V}\\mathbf {E})\) is a molecular graph and\(d_u\) is the degree of vertex\(u\),
then the first and second Zagreb indices are\(\sum_ {u\in\mathbf {V}} d_u^ 2\) and\(\sum …

A single number that can be used to characterize some property of the graph of a molecular
is called a topological index for that graph. In this paper, we compute several topological …