Fig. 5From: Explaining and avoiding failure modes in goal-directed generation of small moleculesTrajectories of \(S_{opt}\), \(S_{mc}\) and \(S_{dc}\) superimposed with tolerance intervals for \(S_{dc}\). Here, the shaded area that is the more visible (red) corresponds to the interquartile range of the data control scores. The full range of tolerance intervals for the expected data control scores are shown every 30 iterationsBack to article page