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 |
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.