Research Article
Open Access
QSTR Analysis of Phenol Derivatives with the help of Topological parameter
A.K.R.Khan and Ashutosh Kumar Srivastava*
Department of Applied Science Sri Ramswaroop Memorial Group of Professional Colleges
Tewari Ganj, Faizabad Road Lucknow, India
Ashutosh Kumar Srivastava et al /Int.J. Chemical Concepts. 2016,2(1),pp 35-42.
Abstract
In this article, a Quantitative structure Toxicity Relationships (QSTR) of twenty five
phenol derivatives is presented. The QSTR study is mainly based on topological parameter. The
topological parameter has been evaluated by CAChe prosoftware. The calculations of topological
parameters have been done by MOPAC 2007. The statistical parameter has been calculated by SSP
software. Various QSTR models are developed but best four models are reported on the basis of cross
validation and correlation coefficient. Out of above four models, Model no. 4 is the best model, which
is selected by on the basis of SE, SEE, t-valve, p-value and degree of freedom. Model no. 4 is
evaluated by shape index first order and connectivity index second order. So we can say that the shape
index first order and connectivity index second order are the better describe for the required maximal
inhibitory concentration to new phenol derivative.
Keywords
Phenol, Topological parameter, Shape index, Connectivity index.
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