Fig. 4

Comparison of model statistics for protein targets involved in MIEs. The top five preliminarily selected models were grouped based on A adversity associated with the predicted target (STE steatosis, CHO cholestasis, CFD cognitive functional defect, KF kidney failure, NTC neural tube closure), B ML method (BRF balanced random forest, GB gradient boosting, KNN k-nearest neighbors, MLP multi-layer perceptron, SVM support vector machine—radial basis function, XGB extreme gradient boosting), and C the features used in the model. On the left side of the figure, the scatter plots show the SPE and SEN of the models. Models applying SMOTE and VSURF are marked with stars, while the best models for each target based on average BA are circled in red. On the right side of the figure, the average statistics were graphically disclosed in box plots