53
30. 5. 2011.
Bond Additive Modeling 4. QSPR and QSAR Studies of the Variable Adriatic Indices
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 2 0.75 R , the inverse sum 0.43-lodeg index is well correlated with the total surface area of octane isomers 2 0.92 R and the sum 0.37-exdeg index is well correlated with the octanol-water partition coefficient 2 0.99 R . (doi: 10.5562/cca1666)