We propose to depart from the top-k accuracy entirely as the evaluation metric. Instead, we propose the following metrics to be used jointly for single-step evaluation: Round-trip, Class diversity, Duplicity, Invalidity and SCScore . Some of these metrics have been introduced by Schwaller et al. for the purpose of guiding the (single-step) retrosynthesis model for synthesis route planning (multi-step retrosynthesis). The details and purpose of each metric along with its quantitative calculation are outlined below.