Application of concepts of graph theory to determine the difference between some cyclic organic chemical compounds.

Abstract

In this paper, we use the concept of paths in graph theory in order to distinguish some cyclic aliphatic organic chemical compounds (13 compounds) and determine the difference among them. By increasing the length of the path from (p0) to p4 (p0→p4) divided into four cases, we which to study the nature of internal structural of the compound according to the length of each case and identify the complete structural spectrum (CSS) for each compound. Then we find the index of complexity of these compounds to find the number of classes for the set of compounds, where the increase in the number of classes leads to increase the accuracy of distinguish, which we got in the fourth case because the number of classes equals the number of elements of the set of compounds so that for each compound in this case, the properties differ from other compounds. Thus, increasing the length of the path means an increase in the description of the nature of the internal structural of the compound and we also wish to determine additional properties for each compound from which to distinguish it compared with the rest of the compounds.