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Table 4 Running time and number of deviating results for the PubChem data set (using a neighbourhood depth of \(k=6\))

From: MET: a Java package for fast molecule equivalence testing

Algorithm Milliseconds Deviating results
MET 18,206,705 0/18554268
VF2++ 29,093,114 0/18554268
CDK: SMILES 63,182,381 1190/18554268
CDK: InChI 38,050,677 3245/18554268