Fig. 5

Contrasting the shared generated chemical space of in-house and general synthesizability scores. UMAP visualization of the solved and potentially active molecular space derived from combining the molecules generated from both in-house and general synthesizability scores trained on the same dataset (“Caspyrus10k”). In both instances, in-house building blocks are used for synthesis planning to evaluate solvability. UMAP is calculated using Morgan Fingerprints (Radius 3, Size 2048)