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19.
Modeling Lipophilicity of 2-Furylethylene Derivatives Using Physico-Chemical
Parameters
Basheerulla
Shaikb, Jyoti Singha, Neelu Singhc,
Mamta Sharmad, Satyendra Singhd, Vijay K.
Agrawal*b
aDelhi
Technological University, Bavana Road, Delhi-110042,
E-mail:
jyotisingh.dtu@gmail.com
bQSAR and
Computer Chemical Laboratories, A.P.S. Univesity, Rewa-486 003,
India,
E-mail:
basheerulla.81@gmail.com
cDepartment of
Chemistry, Radharaman Institute of Technology and Science,
Bhopal-46202l, India
dChemistry Department, Govt. K.N. PG College, Sant
Ravidas Nagar, UP, India
Abstract:
The present study is based on modeling the activity (log P) of
2-Furylethylene derivatives which are biologically active
compounds using physico-chemical parameters. The MLR analysis
reveals that MW, MR, MV, PC and ST are the best suitable
parameters for modeling the lipophilicity (log P) of the
compounds under present study. The quality of proposed model has
been tested using cross validation procedure.
KEYWORDS:
QSAR, lipophilicity, 2-Furylethylene, logP, Physico-chemical
parameters, multiple regression analysis.
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