The concept of Zagreb eccentricity indices ( 1 E and 2 E ) was introduced in the chemical graph theory very recently. The eccentric connectivity index ( ) c ξ is a distance-based molecular structure descriptor that was used for mathematical modeling of biological activities of diverse nature. The second geometric-arithmetic index 2 ( ) GA was introduced in 2010, is found to be useful tool in QS...

For a nontrivial graph G, its first Zagreb coindex is defined as the sum of degree sum over all non-adjacent vertex pairs in G and the second Zagreb coindex is defined as the sum of degree product over all non-adjacent vertex pairs in G. Till now, established results concerning Zagreb coindices are mainly related to composite graphs and extremal values of some special graphs. The existing liter...

the atom-bond connectivity index of graph is a topological index proposed by estrada et al.as abc (g)  uve (g ) (du dv  2) / dudv , where the summation goes over all edges ofg, du and dv are the degrees of the terminal vertices u and v of edge uv. in the present paper,some upper bounds for the second type of atom-bond connectivity index are computed.

tures, that is, chemical compounds, intermediates, changes and mechanisms. Over the past decades graph-based molecular structure descriptors have developed into a quite active field. In these applications a molecular structure is identified to a graph, with vertices representing non-H atoms and edges representing chemical bonds. During the last decade the interest in the problem of computer-aid...

the first extended zeroth-order connectivity index of a graph   g is defined as 0 1/2 1 ( ) ( ) ,   v   v v g      g d      where   v   (g) is the vertex set of g, and v d is the sum of degrees of neighbors of vertex v in g. we give a sharp lower bound for the first extended zeroth-order connectivity index of trees with given numbers of vertices and pendant vertices,...

The intercorrelation between a series of physicochemical parameters and topological indices for a set of beta-blockers is investigated. Partition coefficients are calculated using the ClogP program, and the results are compared with previous data, both experimental and theoretical. These data are complemented by hydrophilicity and solubility calculations, together with the determination of mole...