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Table 10 Average ( n = 15) number of structures considered infeasible by the old and new implementations

From: Efficient ring perception for the Chemistry Development Kit

Chemical n structures n fail (old) n fail (new)
structure    
chebi_108 26,790 108-117 41
nci_aug00 250,172 306-311 37
zinc_frag 504,074 0 0
chembl_17 1,318,180 2528-2547 232
zinc_leads 5,135,179 0 0
  1. Based on a timeout procedure the number of cycles found in the old procedure varied between repeats, given the same structures the new feasibility threshold does not.