From: Structural diversity of biologically interesting datasets: a scaffold analysis approach
Dataset | Occurrence of scaffolds (% relative to dataset size) | No. of singletons (% relative to number of scaffolds) | Aromatic scaffolds (% relative to number of scaffolds) | |||
---|---|---|---|---|---|---|
 | No. | % | No. | % | No. | % |
Drugs | 1874 | 50.0 | 1411 | 75.3 | 1588 | 85.0 |
Metabolites | 296 | 14.3 | 181 | 61.1 | 140 | 47.3 |
Toxics | 905 | 42.0 | 689 | 76.1 | 656 | 72.3 |
NPs | 13151 | 21.2 | 6053 | 46.0 | 11776 | 90.0 |
Leads | 21621 | 32.0 | 13819 | 64.0 | 21057 | 97.4 |
NCI | 44324 | 28.0 | 31880 | 72.0 | 36778 | 83.0 |
ChEMBL | 126843 | 33.4 | 87750 | 69.2 | 119419 | 94.1 |