Title of article :
A novel method of estimation of lipophilicity using distance-based topological indices: dominating role of equalized electronegativity Original Research Article
Author/Authors :
Vijay K. Agrawal، نويسنده , , Madhu Gupta، نويسنده , , Jyoti Singh، نويسنده , , Keshav C. Mathur and Padmakar V. Khadikar، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2005
Abstract :
Attempt is made to propose yet another method of estimating lipophilicity of a heterogeneous set of 223 compounds. The method is based on the use of equalized electronegativity along with topological indices. It was observed that excellent results are obtained in multiparametric regression upon introduction of indicator parameters. The results are discussed critically on the basis various statistical parameters.
Keywords :
QSAR , Lipophilicity , Topological index , Equalized electronegativity , Regression analysis
Journal title :
Bioorganic and Medicinal Chemistry
Journal title :
Bioorganic and Medicinal Chemistry