Fig. 8
From: SMILES-based deep generative scaffold decorator for de-novo drug design
TMAP of the 14,300 molecules obtained by decorating scaffolds (1) to (5) using a multi-step decorator model. a Overview of the whole TMAP colored by scaffold. b A zoomed-in version of a small section colored by predicted activity on DRD2 (red–yellow–green) and highlighting in white the molecules present in the validation set. Some molecules, pointed to their position in the TMAP with arrows, have been drawn as an example