Fig. 3
From: AutoGrow4: an open-source genetic algorithm for de novo drug design and lead optimization
Benchmark AutoGrow runs. Bar heights show the mean times required to complete five generations, averaged over 24 runs. Error bars represent standard errors. a A comparison of AutoGrow 3.1.3 and AutoGrow4, when run using similar settings (see "Methods"). b AutoGrow4 runs when generating at most one, three, and five variants per input compound, using Vina docking. c AutoGrow4 runs when generating at most one, three, and five variants per input compound, using QVina2 docking