Abstract In this paper, we give various lower and upper bounds for the energy of graphs in terms several topological indices graphs: first general multiplicative Zagreb index, Randić zeroth-order redefined indices, atom-bond connectivity index. Moreover, obtain new certain graph invariants as diameter, girth, algebraic radius.

A comparative study of 36 molecular descriptors derived from the topological distance matrix and van der Waals space is carried out within this paper. They are partitioned into 16 generalized topological distance matrix indices, 11 topological distance indices known in the literature (seven obtained from eigenvalues/eigenvectors of distance matrix), and 9 van der Waals molecular descriptors. Th...

BACKGROUND In previous reports, Marrero-Ponce et al. proposed algebraic formalisms for characterizing topological (2D) and chiral (2.5D) molecular features through atom- and bond-based ToMoCoMD-CARDD (acronym for Topological Molecular Computational Design-Computer Aided Rational Drug Design) molecular descriptors. These MDs codify molecular information based on the bilinear, quadratic and linea...

Phenol formaldehyde (phenolic resin) has a wide range of moldings. However, it immense consumption in manufacturing electrical equipment due to its insulating property. Phenolic resin retains properties at the freezing point, and also age cannot be determined. Due insulator property, use equipment. In this article, degree-based topological indices phenol are determined with help M-polynomial. W...

The atom bond connectivity index of a graph is a new topological index was defined by E. Estrada as ABC(G)  uvE (dG(u) dG(v) 2) / dG(u)dG(v) , where G d ( u ) denotes degree of vertex u. In this paper we present some bounds of this new topological index.

the atom bond connectivity index of a graph is a new topological index was defined by e.estrada as abc(g)  uve (dg(u) dg(v) 2) / dg(u)dg(v) , where g d ( u ) denotes degreeof vertex u. in this paper we present some bounds of this new topological index.

Topological indices (TI) (descriptors) of a molecular graph are very much useful to study various physiochemical properties. It is also used develop the quantitative structure-activity relationship (QSAR), structure-property (QSPR) corresponding chemical compound. Various techniques have been developed calculate TI graph. Recently technique calculating degree-based from M-polynomial has introdu...

Based on our earlier QSAR study, a series of 1, 5-N,N'-substituted-2-(substituted naphthalenesulphonyl) glutamamides were synthesized as possible anticancer agents. Anticancer activities of these synthesized compounds were evaluated in vivo on Swiss Albino mice against Ehrlich Ascites Carcinoma (EAC) cells where inhibitions of tumor cell and tumor weight were considered as biological activity p...

Inequalities provide a way to study topological indices relatively. There are two major classes of topological indices: degree-based and distance-based indices. In this paper we provide a relative study of these classes and derive inequalities between degree-based indices such as Randić connectivity, GA, ABC, and harmonic indices and distance-based indices such as eccentric connectivity, connec...

one of the most important targets in alzheimer disease is beta site amyloid precursor protein cleaving enzyme-1 (bace-1). it is a membrane associated protein and is one of the main enzymes responsible for amyloid β (aβ) production. up to now, a considerable number of peptidic and non-peptidic inhibitors of bace-1 have been developed. recently, small molecule bace-1 inhibitors have attracted the...