Accepted xxx; Published xxx

Abstract

Motivation. Comparison with the overall Wiener index, a novel set of overall Wiener indexes ( m RW, m RWp, m RWpc, and m RWc) were defined, which named the reduced overall Wiener indexes. The potential usefulness of the reduced overall Wiener indexes in QSAR/QSPR is evaluated by its correlation with a number of C3-C8 alkanes and by a favorable comparison with models based on the overall Wiener index and molecular connectivity indexes. This can extend the usefulness of the Wiener number, and can make the Wiener number to be a kind of widely used topological index in practice. Method. The present communication attempts to correlate boiling point, surface tension, critical Temperature and critical pressures of 38 diverse functional acyclic compounds with the reduced overall Wiener indices and to compare those with relations of the overall Wiener index and molecular connectivity indices to explore the diagnostic Results. The results show that considerably better statistics is obtained when using the reduced overall Wiener index. The reduced overall Wiener indexes provided even the same statistical results as the molecular connectivity indexes in all models with five variables, and the standard deviations provided by these two sets of indexes are rather closed. Conclusions. Summarized the results, one may conclude that the reduced overall Wiener index examined shows a good potential for QSAR and QSPR studies. It denotes some information of molecular structure, and make up for the pitfalls of Wiener index. This can extend the usefulness of the Wiener number, and can make the Wiener number to be a kind of widely used topological index in practice