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. 2016 Dec 19;57(1):27–35. doi: 10.1021/acs.jcim.6b00386

Figure 3.

Figure 3

(a) Number of Level 1 scaffolds within the 43 literature medicinal chemistry compound series against the number of compounds within the series. (b) Breakdown of the generation of enumerations in which additional Level 1 scaffolds explored within the same compound series were identified using the enumerated scaffold clusters. For some compound series, multiple Level 1 scaffolds reported in the publication matched the enumerated scaffolds in multiple generations.