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https://doi.org/10.5562/cca1666

Bond Additive Modeling 4. QSPR and QSAR Studies of the Variable Adriatic Indices

Damir Vukičević ; Faculty of Natural Sciences and Mathematics, University of Split, Nikole Tesle 12, HR-21000 Split, Croatia

Puni tekst: engleski, pdf (1 MB) str. 87-91 preuzimanja: 470* citiraj
APA 6th Edition
Vukičević, D. (2011). Bond Additive Modeling 4. QSPR and QSAR Studies of the Variable Adriatic Indices. Croatica Chemica Acta, 84 (1), 87-91. https://doi.org/10.5562/cca1666
MLA 8th Edition
Vukičević, Damir. "Bond Additive Modeling 4. QSPR and QSAR Studies of the Variable Adriatic Indices." Croatica Chemica Acta, vol. 84, br. 1, 2011, str. 87-91. https://doi.org/10.5562/cca1666. Citirano 16.07.2019.
Chicago 17th Edition
Vukičević, Damir. "Bond Additive Modeling 4. QSPR and QSAR Studies of the Variable Adriatic Indices." Croatica Chemica Acta 84, br. 1 (2011): 87-91. https://doi.org/10.5562/cca1666
Harvard
Vukičević, D. (2011). 'Bond Additive Modeling 4. QSPR and QSAR Studies of the Variable Adriatic Indices', Croatica Chemica Acta, 84(1), str. 87-91. doi: https://doi.org/10.5562/cca1666
Vancouver
Vukičević D. Bond Additive Modeling 4. QSPR and QSAR Studies of the Variable Adriatic Indices. Croatica Chemica Acta [Internet]. 2011 [pristupljeno 16.07.2019.];84(1):87-91. doi: https://doi.org/10.5562/cca1666
IEEE
D. Vukičević, "Bond Additive Modeling 4. QSPR and QSAR Studies of the Variable Adriatic Indices", Croatica Chemica Acta, vol.84, br. 1, str. 87-91, 2011. [Online]. doi: https://doi.org/10.5562/cca1666

Sažetak
In this paper we analyze the set of the variable Adriatic indices. We show that three of these indices show very good predictive properties. Namely, the inverse sum -1.95-deg index is well correlated with the standard enthalpy of formation of octane isomers (R2 = 0.75), the inverse sum 0.43-lodeg index
is well correlated with the total surface area of octane isomers (R2 = 0.92) and the sum 0.37-exdeg index
is well correlated with the octanol-water partition coefficient (R2 = 0.99). (doi: 10.5562/cca1666)

Ključne riječi
molecular descriptor; molecular index; QSAR; QSPR; algorithm

Hrčak ID: 69703

URI
https://hrcak.srce.hr/69703

Posjeta: 710 *