Prediction of the Log P of pesticides using multiple linear regression

Subject Areas : entomology and othea arthropods

E. Mohammadinasab ¹ (Department of Chemistry, Arak Branch, Islamic Azad University, Arak, Iran)

Received: 2016-05-25 Accepted : 2016-10-01 Published : 2016-11-21

Keywords:

Abstract :

Pesticides are considered as one of the most significant environmental pollutants. The transfer of pesticides into the living organism and the maximum residue limit of pesticides is one of the main environmental concerns. Pesticides have got the attention due to their various applications in biochemistry, environment and agriculture. Consequently, the physical and chemical characteristics of pesticides particularly the pesticides toxicity needs to be taken into consideration. The aim of this research is investigation the relationship between Log P of some pesticides with topological descriptors by graph theory and multiple linear regression methods. Quantitative structure-property relationship study was used and results was showed that Platt, Harary, Randic, Szeged indices are suitable for prediction of Log P the pesticides than the other topological indices. The best model in this study indicated that those structural descriptors, play an important role in effect on Log P of pesticides. For the first time, the relationship between Log P of pesticides and some topological indices using SPSS and multiple linear regression model is investigated.