Based on these metrics, a thorough analysis of quality-diversity and surrogate fitness model metrics is conducted during the parameter scan of GB-BI on the GuacaMol rediscovery task of Troglitazone. A comprehensive overview of the results is presented in Figure which displays the mean and standard deviation for all six metrics, calculated for the final generations of ten independent runs per combination of molecular representations and acquisition functions. An initial examination of these results highlights both the importance and challenges of tracking multiple metrics while studying the effectiveness of quality-diversity methods. The QD-Score, for instance, largely displays the same trends as the archive coverage, but is less reflective of the actual mean fitness value of the evolutionary populations considered here. At the same time, the three metrics assessing the accuracy of the surrogate fitness model, display nearly identical trends but lack strong correlation with either the maximum or mean fitness values.