QSAR study has been carried out on the CDK2 inhibitory activity of 6-substituted 2-arylaminopurines in 0D- to 2D-Dragon descriptors. The derived models have revealed that reciprocal hyper-detour index (descriptor Rww) and path/walk 5 Randic shape PW5) played a pivotal role rationalization inhibition titled compounds. Molecular weight (MW), mean atomic volume scaled Carbon atom (Mv) properties s...

it is necessary to generate the automorphism group of a chemical graph in computer-aidedstructure elucidation. an euclidean graph associated with a molecule is defined by a weightedgraph with adjacency matrix m = [dij], where for i≠j, dij is the euclidean distance between thenuclei i and j. in this matrix dii can be taken as zero if all the nuclei are equivalent. otherwise,one may introduce dif...

Let GG be a graph. The energy of is defined as the summation absolute values eigenvalues adjacency matrix GG. It possible to study several types graph originating from defining various matrices by correspondingly different invariants. first step computing characteristic polynomial for obtaining corresponding In this paper, formulae coefficients polynomials both Randic and Sombor path PnPn , cyc...

the effects of climate change, especially due to the increase of greenhouse gasses, have caused lots of problems that have affected different sections of society. one of the most important effects is the increase of natural disasters such as flood, drought, tropical cyclones, raising sea level, dust storm, etc. drought and flood are the most prevalent of these disasters in iran. because of the ...

objective: sleep quality affects on physical and psychological well being and even academic functions of students. indeed, sleep quality has been suggested as an individual index of general health. among adolescents and young adults, poor sleep quality is common. the aim of this survey was to determine the sleep quality and its correlation with general health in 18-year-old iranian students. me...

The general Randić index Rα(G) of a (chemical) graph G, is defined as the sum of the weights (d(u)d(v))α of all edges uv of G, where d(u) denotes the degree of a vertex u in G and α an arbitrary real number, which is called the Randić index or connectivity index (or branching index) for α = −1/2 proposed by Milan Randić in 1975. The paper outlines the results known for the (general) Randić inde...