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QSPR Models for Predicting Lipophilicity of Triazole Derivatives

Author Affiliations

  • 1School of studies in Chemistry & Biochemistry, Vikram University, Ujjain-456010, INDIA

Res.J.chem.sci., Volume 4, Issue (7), Pages 1-6, July,18 (2014)


The present study consists modeling the lipophilicity (logP) of 5-(2-Oxo-3-aryl-diazenyl-4-methyl-2H-chromen-8-yl)-3-thio-1,2,4-triazole derivatives using distance-based topological indices & indicator parameter. The MLR analysis reveals that O-atom, ZM1, HI and IDE are the best suitable parameters for modeling the lipophilicity of the compounds have been taken in present study. The obtained models are critically discussed on the basis of cross validation technique.


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