Fig. 4
From: AI-driven molecular generation of not-patented pharmaceutical compounds using world open patent data
Chemical space of generated molecules and the drug-patent DB compounds. Molecules generated using Rpatent and Rnot-patent as reward functions in a C = 0.1 setting were compared with 500,000 drug-patent DB compounds. The generated molecules using the Rpatent and Rnot-patent rewards were shown in orange (a) and blue (b), respectively, and the drug-patent DB compounds were colored gray in the background. The chemical space was visualized using UMAP