The invention relates to a method for predicting affinity of the interaction between a biomarker p53 and an organic phosphate fire retardant. The method includes the following steps of establishing a quantitative structure-activity relationship QSAR model of the affinity KD and training set compound molecule descriptors through a partial least square method so as to obtain an affinity KD value, and predicting the affinity according to the affinity KD value. By the adoption of the method, interaction between the organic phosphate fire retardant and the biomarker p53 which are of different structures can be predicted, the method is low in cost and easy, convenient and rapid to achieve, and a large amount of labor, a large number of expenses and a large amount of time which are needed by experimental tests can be saved; the prediction result obtained through the method can provide the important data support for organic chemical ecological risk assessment and management, and the method has important theoretical and practical significance.
; 曹璐璐; 吴惠丰
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