Table 2 Number of scaffolds per hierarchy level
From: Scaffold analysis of PubChem database as background for hierarchical scaffold-based visualization
Level | Name | Number of scaffolds |
|---|---|---|
0 | Root | 1 |
1 | Ring count | 102 |
2 | Ring connectivity | 49,809 |
3 | Ring connectivity extended | 118,902 |
4 | Oprea | 137,633 |
5 | Murcko rings | 596,058 |
6 | Murcko rings with linkers | 1,281,788 |
7 | Rings with Linkers | 7,476,787 |
8 | Rings with Linkers Stereo | 9,867,182 |
| Â | Total | 19,528,262 |