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...

Topological indices are the numerical value associated with chemical constitution purporting for correlation of chemical structure with various physical properties, chemical reactivity or biological activity. Graph theory is a delightful playground for the exploration of proof techniques in Discrete Mathematics and its results have applications in many areas of sciences. One of the useful indic...

All the drugs used as analgesic agent have some systemic side effects. For the researchers, the prospects of overcoming the side effects of a drug, achieving an effect at a much lower dose is very attractive. Modification of the structure of a known drug is one way to develop new drugs. For this purpose, we have optimized the pyrimidobenzimidazole derivatives using molecular modeling studies. Q...

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...

abstract. topological indices are the numerical value associated with chemical constitution purporting for correlation of chemical structure with various physical properties, chemical reactivity or biological activity. graph theory is a delightful playground for the exploration of proof techniques in discrete mathematics and its results have applications in many areas of sciences. one of the us...

As tropospheric chemical models become ever more complex, reliable ratecoefficient data for gas-phase hydrogen abstraction reactions involving tracehydrocarbons becomes increasingly necessary. There are hundreds of non-methane hydrocarbons (NMHCs) of potential importance to troposphericchemistry, many of which have not been subjected to experimental inquiry. Thisstudy—the fi...

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...