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Table 2 Average ( n = 15) time taken to convert CDK structure representations to adjacency and incidence list data structures

From: Efficient ring perception for the Chemistry Development Kit

Chemical structure n structures Adjacency list Incidence list
   t (ms) sdev t (ms) sdev
chebi_108 26,790 167 14 238 15
nci_aug00 250,172 998 49 1,347 53
zinc_frag 504,074 1,466 13 2,029 29
chembl_17 1,318,180 8,308 33 11,977 246
zinc_leads 5,135,179 22,537 582 33,567 2368