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Table 3 Average and median ( n = 15) time taken to determine ring membership

From: Efficient ring perception for the Chemistry Development Kit

Chemical structure SpanningTree RingSearch
  mean median sdev mean median sdev
  t (ms) t (ms)   t (ms) t (ms)  
chebi_108 2,969 2,826 246 236 212 90
nci_aug00 8,440 8,451 59 1,396 1,372 88
zinc_frag 5,338 5,353 77 1,833 1,818 60
chembl_17 122,357 122,493 616 10,325 10,303 98
zinc_leads 114,710 115,067 837 27,496 27,502 215
  1. Times exclude IO but include conversion. It should be noted that the majority of the time spent in RingSearch was for the conversion (adjacency). Unprocessed measurements are provided in Additional file 1: Cycle membership benchmark.