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Table 3 The result of DB coverage

From: Development of Natural Compound Molecular Fingerprint (NC-MFP) with the Dictionary of Natural Products (DNP) for natural product-based drug development

The DB coverage of the molecular scaffolds [\({X}_{Y}^{m}\), (%)]
NCDBs (Y)Level 0 (\({X}_{Y}^{0}\))Level 1 (\({X}_{Y}^{1}\))Level 2 (\({X}_{Y}^{2}\))Level 3 (\({X}_{Y}^{3}\))
KNApSAcK99.9575.7043.0812.79
IBScreen99.9679.4922.073.43
NPACT100.0080.6754.3118.13
Specs99.8885.7864.6933.29
TCM99.9874.3934.9913.38
NPASS99.9772.2437.5213.10
Avg. performance99.9678.0542.7715.69
  1. The natural compound databases (NCDBs) coverage defined by Eqs. (2) and (3) are summarized at different scaffold levels
  2. “NCDBs” means Natural Compound Databases. “Avg. performance” means the average value of performance