Fig. 6
From: AI-driven molecular generation of not-patented pharmaceutical compounds using world open patent data
Examples of generated molecules including an approved drug. A generated molecule matched to an approved drug, diclofenac, and generated molecules similar to it are shown. The molecules were generated using the Rpatent reward function. The similarity values to diclofenac and the QED values are indicated below the structures. Compounds registered in the drug-patent DB are marked with an asterisk