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Table 11 Average ( n = 15) number of all cycles found in each datasets

From: Efficient ring perception for the Chemistry Development Kit

Chemical structure

n structures

Old

New

  

Cycles

sdev

Cycles

sdev

chebi_108

26,790

98,597

199

126,713

0

nci_aug00

250,172

936,625

409

1,007,643

0

zinc_frag

504,074

1,022,498

0

1,022,498

0

chembl_17

1,318,180

6,176,585

378

6,599,942

0

zinc_leads

5,135,179

14,816,752

0

14,816,752

0

  1. Due to the time out the old implementation sometimes provided different counts for each repeat.