QSAR STUDIES ON POLYCHLORINATED AROMATIC COMPOUNDS USING TOPOLOGICAL DESCRIPTORSAbstract
Polychlorinated dibenzo-p-dioxins(PCDDs) and Polychlorinated dibenzofurans(PCDFs) represent a large group of industrial and byproduct compound is resistance to chemical and biological degradation and highly toxic.A series of 18 PCDD and PCDF compounds is subjected to QSTR studies by using differnt molecular descripters. The dependent variable used in this study represents log(EC50) values (EC50-median effective concentration during a bioassay).The regression analysis of the data has shown that the toxicity of the compound can be modeled excellently in multi-parametric model.Its resulting model exhibited good R2value up to 0.8938. The present work contribute in the identification of those compounds which are very toxic and polluting our environment.
Kumar Nandan*, Kumar Ranjan , Md. Belal Ahmad and Baidyanath Sah
Department of Chemistry, T.N.B. College, T.M. Bhagalpur University, Bhagalpur-812 007, Bihar, India
05 March, 2013
28 May, 2013
24 June, 2013
01 July, 2013