%0 Journal Article %T A QSPR Study for the Prediction of the Selectivity of Pb(II) Sensors by Stability Constants of Ion-Ionophore Complexes %J Analytical and Bioanalytical Electrochemistry %I Analytical and Bioanalytical Electrochemistry is an international scientific journal, which is published online every 3 months (since 2009), every 2 months (since 2011) and monthly (since 2018) by Center of Excellence in Electrochemistry, University of Tehran %Z - %A Kiani-anboui, Roya %A Ghasemi, Mohammad Hadi %D 2022 %\ 06/01/2022 %V 14 %N 6 %P 598-609 %! A QSPR Study for the Prediction of the Selectivity of Pb(II) Sensors by Stability Constants of Ion-Ionophore Complexes %K Lead-selective electrode %K Complex stability constant %K QSPR %K Genetic algorithm, Multiple linear regression %R %X The stability constants of ion-ionophore complexes can determine the selectivity of ion-selective electrodes. In this study, the quantitative structure-property relationship (QSPR) model was employed to predict the complex stability constants of lead ions with different ionophores. The Genetic algorithm-multiple linear regression method (GA-MLR) developed models based on calculated molecular descriptors. Y-randomization testing, cross-validation, and test set compounds were applied to evaluate the predictive ability of the built model. This built model obtained high statistical quantities (R2train= 0.899, R2adj = 0.877, Q2LOO = 0.831, Q2LOO = 0.776, and Q2boot = 0.780) and showed that GA-MLR was a promising tool to predict the complexation stability of pb2+ with different ionophores. The current study introduces an efficient model for testing and assessing selectophores in lead-selective sensors based on complex stability constants. Additionally, this model could guide the design of highly selective ionophores for Pb (II) sensors.  %U https://www.abechem.com/article_253082_d8aaafabfadc299183778d90fcf6aa79.pdf