Table 3 Percentages of the compounds in each of the SureChEMBL, ChEMBL and PubChem sets returning each value as their maximum penalty score
From: An open source chemical structure curation pipeline using RDKit
| Penalty score | SureChEMBL | ChEMBL Literature | PubChem |
|---|---|---|---|
| 7 | 0.01 | 0.00 | 0.45 |
| 6 | 1.62 | 0.00 | 3.14 |
| 5 | 2.72 | 0.15 | 1.00 |
| 2 (non InChI) | 6.92 | 3.90 | 3.12 |
| 2 (InChI) | 28.77 | 20.35 | 32.59 |
| No errors | 59.95 | 75.60 | 59.70 |