Arguably, a direct comparison by number of iterations is not the most suitable way to compare the two runs: For instance, when comparing recall relative to the number of total compounds docked, it becomes evident that iteratively docking the same number of compounds in smaller batches yields much higher recall than docking fewer, but larger, batches (see Fig. in the Supporting Information). This observation demonstrates the potential in utilizing smaller docking fractions with HASTEN. We herein assumed the same docking resources for both runs, but when resources for docking are limited, or when a slower docking method is chosen, opting for smaller docking fractions can represent a reasonable approach to keep the conventional docking at the necessary minimum.