engleski

A QSPR study of 3-(phtalimidoalkyl)-pyrazolin-5-ones

Several QSPR models with topological indices are proposed forpredicing physical properties of newly prepared3-(phthalimidoalkyl)-pyrazolin-5-ones. Four topological indiceswere used. These are the Wiener index, the valence connectivityindex, the Balaban index and the information-theoretic index. Thebest QSPR models were obtained using the Wiener index and thevalence connectivity index. The Balaban index and theinformation-theoretic index produced less accurate models. QSPRmodels based on combination of indices appear to be reliable.

QSPR ; models ; topological indices ; 3-(phthalimidoalkyl)-pyrazolin-5-ones

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