The five most important constitutional, steric, electronic, thermodynamic and molecular descriptors were selected using the common preselection method combined by SMLR method. The optimum structures have been applied to generate more than 50 descriptors using available servers in ChemOffice 2004. MOPAC software embedded in ChemOffice 2004 package was used for the minimizing energy using semi-empirical AM1 method. Stepwise Multiple Linear Regression (SMLR) and Artificial Neural Network (ANN) methods have been exploited as linear and nonlinear methods, respectively to build the QSPR model. A quantitative structure–property relationship (QSPR) study is performed to develop a model, relating to Na + complex stability constant (log K) and the structure of 74 derivatives of 1,4,7,10,13-pentaoxacyclo-pentadecane ethers (15C5).
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