Table 9. Number of Distinct Murcko Scaffolds and Compounds without a Ring System.
| end point | number of distinct Murcko scaffolds | number of compounds without ring systems | percentage of unique scaffoldsa |
|---|---|---|---|
| DIO1 | 554 | 455 | 53% |
| DIO2 | 557 | 456 | 52% |
| DIO3 | 557 | 456 | 52% |
| TPO | 418 | 231 | 55% |
| TR | 1877 | 1608 | 48% |
| NIS | 330 | 202 | 61% |
| TRHR | 1810 | 1712 | 47% |
| TSHRAnt | 1834 | 1733 | 47% |
| TSHRAg | 1876 | 1728 | 47% |
| global data set | 2327 | 1871 | 45% |
a
Unique scaffolds are defined as the sum of compounds with unique Murcko scaffold and compounds without Murcko scaffold.