Fig. 5 The effectiveness test of the RSscore on reaction evaluation
Each indicator is evaluated separately in the external test set to demonstrate the generalizability and superiority. According to the evaluation indicators results in Table 5, the RSscore exhibits the highest accuracy (accuracy = 0.717) and ROC-AUC value (ROC-AUC = 0.714) among these indicators. The generalizability and superiority of RSscore are proved in discriminating the superior situations of reactions. Furthermore, when considering reactions carried out with different reaction agents, only RSscore can distinguish those reactions. This demonstrates the broader capability of RSscore to judge reaction superiority and provides a good evaluation indicator for CASP.