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. 2022 Jun 6;62(15):3535–3550. doi: 10.1021/acs.jcim.2c00150

Figure 7.

Figure 7

Maximum common substructures (MCSs) of the clusters formed by the top 100 most active molecules. The largest cluster (cluster 0, N = 57 compounds) did not show a common scaffold. As these structures are scaffolds, atom valences and bond types should not be considered as represented (only connectivity should be considered).