Table 3 Number of children per scaffold—distributions by level; the table shows how many children the scaffolds at each level have—for example the scaffolds at level 4 have on average 4.33 children each, also at least \(90\%\) of level 4 scaffolds have at most 5 children
From: Scaffold analysis of PubChem database as background for hierarchical scaffold-based visualization
Level | Number of children per scaffold percentiles | Mean | ||||||||
|---|---|---|---|---|---|---|---|---|---|---|
\(\mathrm {P}_{0}\) | \(\mathrm {P}_{10}\) | \(\mathrm {P}_{25}\) | \(\mathrm {P}_{50}\) | \(\mathrm {P}_{75}\) | \(\mathrm {P}_{90}\) | \(\mathrm {P}_{95}\) | \(\mathrm {P}_{99}\) | \(\mathrm {P}_{100}\) | Â | |
0 | 102 | 102 | 102 | 102 | 102 | 102 | 102 | 102 | 102 | 102.00 |
1 | 1 | 1 | 4 | 29 | 199 | 1660 | 3396 | 5083 | 5180 | 488.10 |
2 | 1 | 1 | 1 | 1 | 2 | 4 | 7 | 25 | 188 | 2.38 |
3 | 1 | 1 | 1 | 1 | 1 | 1 | 2 | 4 | 35 | 1.16 |
4 | 1 | 1 | 1 | 1 | 2 | 5 | 9 | 43 | 3666 | 4.33 |
5 | 1 | 1 | 1 | 1 | 1 | 3 | 6 | 20 | 2206 | 2.15 |
6 | 1 | 1 | 1 | 1 | 2 | 6 | 11 | 60 | 16,755 | 5.83 |
7 | 1 | 1 | 1 | 1 | 1 | 3 | 3 | 5 | 363 | 1.32 |