Here, to further illustrate the advantage of RSscore over other evaluation indicators based on molecular accessibility and complexity, we take the reaction in Fig. 5(a) as an example and obtained the evaluation results in Table 6 ., the RSscore has consistent result with SAscore, SCscore, SYBA, RAscore, at the same time, it is able to consider the effect of reaction agents, enabling the identification of the current reaction as a relatively dominant one. This demonstrates the broader capability of RSscore to judge reaction superiority and provides a good evaluation indicator for CASP.