Novel Application of Randic Molecular Connectivity Index on Data Reduction of Chemical Graphs

摘要

Benzenoid hydrocarbons are studied in terms of the much simpler caterpillar trees. Using molecular connectivity indices of the latter almost exact linear relations are obtained with natural logarithms of five properties of benzenoid hydrocarbons including all self-avoiding paths, conjugated circuits, number of Kekule structures, electronic absorption spectra, and heats of atomizations. Keywords: Graph theory, Randic molecular connectivity index, Data reduction, Caterpillar trees, Benzenoid hydrocarbons.