Topological indices have been used to modeling biological and chemical properties of molecules in quantitive structure property relationship studies and quantitive structure activity studies. All the degree based topological indices have been defined via classical degree concept. In this paper we define a novel degree concept for a vertex of a simple connected graph: S degree. And also we defin...

Topological indices have been used to modeling biological and chemical properties of molecules in quantitive structure property relationship studies and quantitive structure activity studies. All the degree based topological indices have been defined via classical degree concept. In this paper we define a novel degree concept for a vertex of a simple connected graph: R degree. And also we defin...

Every molecular structure can be regarded as a graph, and each graph can be transformed into characteristic scalar – topological index. There are many, over 1000 topological indices used by chemists, but they are not equally successful in solving specific problems. For the prediction of stability of coordination compounds valence molecular connectivity index of the 3rd order (χ) proved best. St...

the topological indices, defined as the sum of contributions of all pairs of vertices (among which are the wiener, harary, hyper–wiener indices, degree distance, and many others), are expressed in terms of contributions of edges and pairs of edges.

There are very few studies for combinatorial library design and high throughput screening of 4-anilinoquinoline antimalarial compounds having activities against parasitic strain of P. falciparum. Therefore, an attempt has been made in the present paper to design potent lead compounds in this congener utilizing quantitative structure activity relationship utilizing theoretical molecular descript...

let g be a graph. the first zagreb m1(g) of graph g is defined as: m1(g) = uv(g) deg(u)2. in this paper, we prove that each even number except 4 and 8 is a first zagreb index of a caterpillar. also, we show that the fist zagreb index cannot be an odd number. moreover, we obtain the fist zagreb index of some graph operations.