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QSPR modeling of the lipophilicity of aziridine derivatives

Ashish Awasthi, Shubha Jain, Satish Piplode, Shrikant Pandey
2014 Scholars Research Library Der Pharma Chemica   unpublished

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The paper describes QSPR studies on lipophilicity using a combination of topological indices as well as indicator parameters for a set of 51 derivatives of aziridine. Regression analysis of the data using maximum R 2 method reveals that 1 χ v , SIC ' 0 ' , 0 χ and ZM2V topological indices along with Cl-atom and N-atom indicator parameters are the best descriptors to be used, for modeling the lipophilicity. The low residual lipophilicity and high cross-validated R 2 cv values observed indicated
more » ... he predictive ability of the developed QSPR models.
fatcat:fytai5y3cra7zflk2tap7di2ey
Citation

Ashish Awasthi, Shubha Jain, Satish Piplode, Shrikant Pandey. "QSPR modeling of the lipophilicity of aziridine derivatives." Scholars Research Library Der Pharma Chemica (2014)