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. 2023 Nov 8;8(46):43500–43510. doi: 10.1021/acsomega.3c03225

Table 2. Murcko Scaffold Diversity Analysisa.

  number of compounds (N) Murcko scaffold (Ns) cyclic skeletons (Ncsk) Ns/N Ncsk/N Ncsk/Ns
complete 549 239 169 0.435 0.308 0.707
active 148 102 73 0.689 0.493 0.716
intermediate 247 129 99 0.522 0.401 0.767
inactive 154 67 57 0.435 0.37 0.851
a

Scaffold diversity is calculated as the proportion of the number of scaffolds to the total number of compounds. In this table, N means the number of total compounds, Ns for the number of Murcko scaffolds, and Ncsk for the number of cyclic skeletons.