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Similarity of drugs to clozapine as judged by the VAE. (A) Rank order of Euclidean similarity in 100 dimensions (E-Sim) or two UMAP dimensions (EU-Sim) as in Figure 3. Some of the “most similar” drugs are labelled, as are some of those in Table 1. (B) Structures of some of the drugs mentioned, together with their Euclidean distances as judged by VAE-Sim.
