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.