QSAR Studies on Some of Dichloroacetyl Oxazolidine Herbicide Safeners

摘要

In order to find activity of herbicide safener, The MM+ and Polak-Ribiere algorithm were employed to calculate the properties of dichloroacetyl oxazolidine compounds. The QSAR equation of this series compounds was obtained by using (Least-Squares Regression) PLS regression. The results showed that log p and dipole moment played a major role, variable surface area (aprox), hydration energy, refractivity and polarizability played a secondary role. The equation building of this series compounds can not only forecast the activity of new compound, but also lead design of higher activity herbicide safener.