QSPR analysis of certain degree based topological invariants using MLR model

QSPR Modeling of Heat Capacity, Thermal Energy and Entropy of Aliphatic Aldehydes by using Topological Indices and MLR Method

QSPR Analysis with Curvilinear Regression Modeling and Topological Indices

Topological indices are the real number of a molecular structure obtained via molecular graph G. Topological indices are used for QSPR, QSAR and structural design in chemistry, nanotechnology, and pharmacology. Moreover, physicochemical properties such as the boiling point, the enthalpy of vaporization, and stability can be estimated by QSAR/QSPR models. In this study, the QSPR (Quantitative St...

M-polynomial and degree-based topological indices

Let $G$ be a graph and let $m_{ij}(G)$, $i,jge 1$, be the number of edges $uv$ of $G$ such that ${d_v(G), d_u(G)} = {i,j}$. The {em $M$-polynomial} of $G$ is introduced with $displaystyle{M(G;x,y) = sum_{ile j} m_{ij}(G)x^iy^j}$. It is shown that degree-based topological indices can be routinely computed from the polynomial, thus reducing the problem of their determination in each particular ca...

Splice Graphs and their Vertex-Degree-Based Invariants

Let G_1 and G_2 be simple connected graphs with disjoint vertex sets V(G_1) and V(G_2), respectively. For given vertices a_1in V(G_1) and a_2in V(G_2), a splice of G_1 and G_2 by vertices a_1 and a_2 is defined by identifying the vertices a_1 and a_2 in the union of G_1 and G_2. In this paper, we present exact formulas for computing some vertex-degree-based graph invariants of splice of graphs.

On Certain New Topological Invariants of a Manifold.

of the surfaces z, with the property that a curve y9 intersects a surface yj once or zero times, modulo T, according as i is equal to or different from j. In other words, the intersection of y9 with yj is determined by the coefficient of ysyj in the bilinear form ytyj (mod x) Let 7rt' denote the number of times, modulo r, that a curve y9 cuts the surface zj bounded by y. The numbers 7r-' are th...