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Table 8 The number of cycles in each set

From: Efficient ring perception for the Chemistry Development Kit

Chemical

n structures

MCB

Essential

Relevant

All

structure

     

chebi_108

26,790

56,572

55,687

57,401

∼126,713

nci_aug00

250,172

599,876

591,144

606,045

∼1,007,643

zinc_frag

504,074

880,296

875,801

882,393

∼1,022,498

chembl_17

1,318,180

4,505,285

4,455,907

4,563,027

∼6,599,942

zinc_leads

5,135,179

-

-

-

∼14,816,752

  1. The counts for all elementary cycles are approximate as it was infeasible to finish computation on some structures.