Fig. 1From: COVER: conformational oversampling as data augmentation for moleculesHistogram of the median RMSD of the generated conformations. The captions of the subplots denote the amount of oversampling done, e.g. 1–16 denotes 1 conformation for the negative class and 16 conformations for the positive class. The upper plots depict the distributions of the active molecules, the lower graphs indicate the distributions for the inactive moleculesBack to article page