A novel method of estimation of lipophilicity using distance-based topological indices: dominating role of equalized electronegativity |
| |
Authors: | Agrawal Vijay K Gupta Madhu Singh Jyoti Khadikar Padmakar V |
| |
Institution: | QSAR and Computer Chemical Laboratories, A.P.S. University, Rewa 486 003, India. vkagrawal@lycos.com |
| |
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: | |
本文献已被 PubMed 等数据库收录! |