Topological indices are used in QSPR/QSAR studies to modeling physico-chemical properties of molecules. Wiener polarity index, is one of the oldest topological index together with Wiener index, was used to modeling paraffin boiling points. Recently k-total Wiener polarity index has been defined by mathematically. In this study, we examine 3-total Wiener polarity index whether is a possible tool or not for QSPR/QSAR researches. We show that 3total Wiener polarity index gives better correlation to modeling acentric factor of octane isomers compared with the well-known topological indices such as; Wiener, Zagreb and Randié indices.
Benzer Makaleler | Yazar | # |
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Makale | Yazar | # |
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