Study On Toxicity Of Sulfonylure Pesticides Using Quantitative Structure-Activity Relationship

The structure-toxicity relationship analysis of 26 kinds of sulfonylure pesticides was studied using 2 kinds of QSAR research methods, octanel/water partition coefficient (1gK_ow) method and molecular connective indices method. Then the forecast ability of structure-toxicity relationship on sulfonylure pesticides was compared by these 2 kinds of toxicology QSAR models.The first method, Octanel/water partition coefficient (1gK_ow) method. The mathematic model linear correlation (1gK_ow) was built through multiple linear regression method using 18 kinds of the molecular connective indices, then made up the toxicology QSAR model of sulfonylure pesticides by IgKow and validated.The second method, molecular connective indices method. 18 kinds of the molecular connective indices were studied using multiple linear regression, then built the toxicology QSAR model of sulfonylure pesticides and validated.The result indicated that, both of toxicology QSAR models have the good forecast ability. These models can be used in the sulfonylure pesticides toxic mechanism research and the toxicity forecast, but the forecast ability of second method is the most than the first method's.