In addition, the application value of the existing ADMET model in specific drug screening work is still unclear, based on this, this study, first, a dual feature screening combination method is proposed to screen data variables; then, the combination of Bagging algorithm and random forest algorithm is used to realize ERα’ Bioactivity prediction; finally, different target values are introduced to test the performance of the prediction model, so as to improve the development efficiency of breast cancer specific drugs, as well as reducing the error judgment rate of R&D personnel. Here, ESR1 is linked to breast cancer.