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Authors: MONICA L. POP, MIRCEA V. DIUDEA, ALEKSANDAR ILIĆ.
A correlating study, using as independent variables the topological indices newly developed within the design of the super-index Cluj-Niš CJN, is performed on the set of octane isomers. Among the modeled properties, the boiling point BP, entropy S and total surface area TSA, gave best scores, in mono- to three-variable regressions, with respect to our novel descriptors. The most important result was the monovariate description of octane boiling points, which is the best result so far published in literature.
Keywords: Octanes, topological indices, QSPR.
