Fig. 7
From: SMILES-based deep generative scaffold decorator for de-novo drug design
Four bar plots describing properties for molecules generated from scaffolds (1) to (10) using both the multi-step (blue) and single-step (orange) decorator models. a The absolute number of decorations (including repeats) generated (notice that the y-axis is in logarithmic scale); b percentage of unique decorations; c percentage of decorations not present in the training set (in absolute numbers); d percentage of generated molecules that have at least one novel decoration. In darker color, the subset thereof that is predicted as active using the DRD2 APM