Impact of metal ionic characteristics on adsorption potential of Ficus carica leaves using QSPR modeling.

The present study describes Quantitative Structure Property Relationship (QSPR) modeling to relate metal ions characteristics with adsorption potential of Ficus carica leaves for 13 selected metal ions (Ca+2 , Cr+3 , Co+2 , Cu+2 , Cd+2 , K+1 , Mg+2 , Mn+2 , Na+1 , Ni+2 , Pb+2 , Zn+2 , and Fe+2 ) to generate QSPR model. A set of 21 characteristic descriptors were selected and relationship of these metal characteristics with adsorptive behavior of metal ions was investigated. Stepwise Multiple Linear Regression (SMLR) analysis and Artificial Neural Network (ANN) were applied for descriptors selection and model generation. Langmuir and Freundlich isotherms were also applied on adsorption data to generate proper correlation for experimental findings. Model generated indicated covalent index as the most significant descriptor, which is responsible for more than 90% predictive adsorption (α = 0.05). Internal validation of model was performed by measuring [Formula: see text] (0.98). The results indicate that present model is a useful tool for prediction of adsorptive behavior of different metal ions based on their ionic characteristics.