Yazarlar: Süleyman Ediz, İdris Çiftçi, Süleyman Soygüder, Murat Cancan, Mehmet Şerif Aldemir
Anahtar Kelimeler:QSPR analysis, QSAR analysis, k-total distance degree, k-total Wiener polarity index, 3-total Wiener polarity index
Özet: 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.