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A set of twenty six thiazole derivatives, synthesized in our laboratory and measured for chromatographic retention was submitted to a QSPR study by auto-correlation analysis on the hypermolecule model. As predictor variables, mass fragments, Cluj indices and the HOMO energy, computed at the Hartree-Fock level of theory, are used. Several QSPR models were derived while the leave-one-out procedure was used to evaluate the predictive ability of the main model.
Key words: thiazoles, hypermolecules, QSPR, topological descriptors
