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Table 5 Average and median ( n = 15) time taken to compute the minimum cycle basis (MCB) using the existing and improved implementations

From: Efficient ring perception for the Chemistry Development Kit

Chemical structure MCB (old) MCB (new)
  mean median sdev mean median sdev
  t (ms) t (ms)   t (ms) t (ms)  
chebi_108 4,200 4,020 695 396 353 160
nci_aug00 34,762 34,330 1,685 2,193 2,125 211
zinc_frag 47,752 47,844 1,982 2,376 2,330 153
chembl_17 245,620 245,592 990 15,341 15,257 311
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.