Table 2. Diversity Calculation of MAO-A and MAO-B Inhibitor Scaffoldsa.
| data set (N) | Murcko scaffold structure (Nm) | singleton Murcko scaffolds (Nsm) | skeleton scaffold structure (Nsc) | Nm/N | Nsc/N | Nsm/N | Nsm/Nm | |
|---|---|---|---|---|---|---|---|---|
| MAO-A | 1546 | 490 | 259 | 327 | 0.32 | 0.21 | 0.17 | 0.53 |
| MAO-B | 2177 | 701 | 382 | 440 | 0.32 | 0.20 | 0.17 | 0.54 |
a
(Nsm/N) indicates the ratio of singleton Murcko scaffolds and the data set (N). Nm/N shows the ratio of Murcko scaffolds (Nm) and the data set (N). Nsc/N represents the ratio of skeleton scaffolds (Nsc) and the data set (N). (Nsm/Nm) signifies the quotient of a singleton Murcko scaffold (Nsm) and the Murcko scaffold structure (Nm).