Fig. 7
From: MERMAID: an open source automated hit-to-lead method based on deep reinforcement learning
Differences in SMILES generated by each model Molecules generated by two models, showing the difference in terms of structure and SMILES. a Seed molecule. b Molecules generated by the “Multi” model and c molecules generated by the “Single” model. The red outlines in the molecular structures and the red character string in SMILES are changes from molecule (a). Note that deleted parts from the seed molecule during molecule generation are not highlighted in this figure