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Table 6 Average and median ( n = 15) time taken to compute the relevant cycles using the existing and improved implementations

From: Efficient ring perception for the Chemistry Development Kit

Chemical structure Relevant cycles (old) Relevant cycles (new)
  mean median sdev mean median sdev
  t (ms) t (ms)   t (ms) t (ms)  
chebi_108 17,013 16,897 576 445 388 171
nci_aug00 149,210 148,231 12,190 2,250 2,187 195
zinc_frag 183,587 184,720 18,219 2,610 2,519 237
chembl_17 972,493 972,605 1,197 16,003 15,991 201
zinc_leads - - - - - -
  1. The time taken by the new implementation includes adjacency conversion (Table 2). Unprocessed measurements are provided in Additional file 2: Short cycles.