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Table 1 Compound databases used to illustrate the concept of DFP

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
  1. aSE: Shannon entropy