In this paper an algorithm for computing the Balaban and Randic indices of any simple connected graph was introduced. Also these indices were computed for IPR C80 fullerene isomers, Zigzag nanotubes and graphene by GAP program.

3 Randic M, Miletic V. Depressant actions of methionine-enkephalin and somatostatin in cat dorsal horn neurones activated by noxious stimuli. Brain Res 1978;152:196-202. 4 Hokfelt T, Kellerth JO, Nilsson G, Pernow B. Experimental immunohistochemical studies on the localization and distribution of substance P in cat primary sensory neurones. Brain Res 1975;100:235-52. 5 Takagi H, Shiomi H, Fukui...

It is well known that the chemical behavior of a compound is dependent upon the structure of itsmolecules. Quantitative structure – activity relationship (QSAR) studies and quantitative structure –property relationship (QSPR) studies are active areas of chemical research that focus on the nature ofthis dependency. Topological indices are the numerical value associated with chemical constitution...

It is necessary to generate the automorphism group of a chemical graph in computer-aided structure elucidation. An Euclidean graph associated with a molecule is defined by a weighted graph with adjacency matrix M = [dij], where for i≠j, dij is the Euclidean distance between the nuclei i and j. In this matrix dii can be taken as zero if all the nuclei are equivalent. Otherwise, one may introduce...

There is a natural linkage between the molecular structures and the bio-medical and pharmacology characteristics. A topological index can be considered as transformation of chemical structure in to real number and has been used as a predictor parameter. There are certain vertex-degree-based topological indices which has been used extensively in the chemical graph theory but recently no further ...

Let G be a simple graph with vertex set V (G) = {v1, v2, . . . , vn} and edge set E(G) = {e1, e2, . . . , em}. Similar to the Randić matrix, here we introduce the Randić incidence matrix of a graph G, denoted by IR(G), which is defined as the n × m matrix whose (i, j)-entry is (di) 1 2 if vi is incident to ej and 0 otherwise. Naturally, the Randić incidence energy IRE of G is the sum of the sin...

In the present investigation the applicability of various topological indices are tested for the QSPR study on 80 amino acids derivatives. Relationship between the Randic' (1X), Balaban (J), Szeged (Sz), Harary (H), Wiener (W), Hyper-Wiener (WW) and Wiener Polarity (WP) indices to the thermodynamic Properties such as thermal energy Eth (J/mol) and heat capacity (CV J/mol. K) of amino acids is r...

The Atom-bond-connectivity index ABC of a graph G is determined by d_i and d_j. In this paper, sharp results for the general which has chemical applications are found using different methods. These new inex investigated in terms its edges, vertices degrees. particular, some relations obtained involving topological indices; Randic index, Zagreb Harmonic Narumi-Katayama index. Indeed, improved he...