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Table 3 Summary of the scaffold composition and unicity analysis

From: Mining collections of compounds with Screening Assistant 2

   Scaffolds Frameworks
  Unicity (CU) Proportion Unicity (SU) Proportion Unicity (FU)
Min 0% 6.3% 0% 2.2% 0%
Max 100% 84.2% 87.9% 57.8% 49%
Average 24.9% 24.7% 13.3% 11.6% 5.9%
> 10% 37 69 27 26 13
> 20% 33 37 17 11 8
> 50% 15 4 4 1 0
  1. Unicity is defined as the proportion of molecules (or scaffolds / frameworks) that are exclusive to a given provider, i.e. that cannot be found in any other provider. The proportion of scaffolds / frameworks are expressed as the number of molecules divided by the number of scaffolds / frameworks associated with a given provider. The minimum, maximum and average values through all vendors are given in this table. The number of vendors having one of these indices up to a given threshold is given in the second part of the table.