From: Database fingerprint (DFP): an approach to represent molecular databases
Database | Type | Size | Mean MACCS keys/Tanimoto | SEa |
---|---|---|---|---|
Benzimidazole | In-house | 92 | 0.61 | 32.37 |
Epigenetic focused | Commercial | 113 | 0.45 | 49.36 |
DNMT1 | In-house | 566 | 0.46 | 48.72 |
Clinical | Therapeutic target database | 837 | 0.43 | 52.83 |
General screening | Commercial (website) | 1100 | 0.43 | 51.91 |
Natural products | Natural products | 1498 | 0.64 | 33.71 |
Semi-synthetic | Related to natural products | 1498 | 0.60 | 29.19 |
Drugs | Approved for clinical use | 1490 | 0.37 | 54.20 |
GRAS | Approved in the food industry | 1500 | 0.38 | 31.40 |
GDB13 | Generated Data Base 13 | 1500 | 0.44 | 49.04 |