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Highly Correlated Wiener polarity Index: A Model to Predict Log p Immadesetty Pothu Raju
International Journal of Advances in Applied Sciences Vol 3, No 1: March 2014
Publisher : Institute of Advanced Engineering and Science

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (188.934 KB) | DOI: 10.11591/ijaas.v3.i1.pp19-24

Abstract

Wiener polarity index of a more generalized graph of chemical graphs of polyacenes and phenylenes is computed and the results are used to design a model for predicting log p values of polyacenes. The multiple regression with two descriptors gives improved models with correlation coefficient 0.999999980642502.