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Download (4Mb) - Etheses - Saurashtra University

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Part-IResults and DiscussionFor the best equation Compound IVvii and IVxiii were removed as outliers and the bestequation was given as under:Ulcer score log(1/C) = +11.5236(±1.5660)chiV6chain + 1.0933(±0.0853)chi3Cluster- 0.0592(±0.0009) XcompDipole -2.8581………………….(Eqation-3)n = 15, Degree of freedom = 11, r = 0.9311, r 2 = 0.8671, q 2 = 0.7599, F test = 23.9156,s = 0.2303, t =2.201 (95%).The observed and predicted biological activities of the molecules used in the study aregiven in table-15.Table-15: Observed and predicted biological activities of training set of molecules.Compound Observed Predicted ResidualsActivity ActivityIVi 0.292 0.249781 -0.04222IViii -0.243 -0.12875 0.114248IVv -0.079 -0.25869 -0.17969IVix -0.079 -0.1125 -0.0335IVxi -0.097 -0.07537 0.021628IVxv 0 0.141555 0.141555IVxvii 0.222 0.126106 -0.09589IVxix 0.208 0.13629 -0.07171IVxx -0.398 -0.48522 -0.08722IVxxii -0.352 -0.32535 0.026648IVxxiv -0.418 -0.38635 0.031655IVxxviii 0.208 0.136855 -0.07115IVxxx -0.494 -0.43894 0.05506IVxxxii -0.114 -0.01292 0.101084IVxxxiv -0.176 -0.08657 0.089427Regression analysis of these molecules with the lipophilic parameter logP has also beencarried out and the equation is given as under; which is not very significant.Ulcer Score log(1/C) = + 0.0452(± 0.0615) XlogP -0.2637n = 17, Degree of freedom = 15, r =0.1865, r 2 = 0.0348, q 2 = -0.2394, F test = 0.5403.153

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