A novel method of estimation of lipophilicity using distance-based topological indices: dominating role of equalized electronegativity.
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.
Agrawal
Vijay K
VK
QSAR and Computer Chemical Laboratories, A.P.S. University, Rewa 486 003, India. vkagrawal@lycos.com
Gupta
Madhu
M
Singh
Jyoti
J
Khadikar
Padmakar V
PV
D004583:Electrons; D008055:Lipids / Q000737:chemistry*; D008956:Models, Chemical; D055672:Static Electricity
D008055:Lipids