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Table 2 Scaffold and framework representativity

From: Mining collections of compounds with Screening Assistant 2

  Scaffold Framework
  Count Percent Count Percent
Database 1 084 411 15.24% 247 689 3.47%
Singleton 647 260 9% 104 250 1.5%
Cumulative freq. (50%) 11 565 1.06% 447 0.18%
Cumulative freq. (80%) 150 777 13.87% 7 741 3.13%
  1. Singletons are core structures that are associated with only one molecule. Percentages for Database and Singleton rows are expressed as the number of scaffolds (Count column) divided by the total number of molecules in the database. Cumulative frequency values represent the number (resp. proportion) of scaffolds that are needed to obtain a certain percentage of compounds (in brackets) in the database.