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Table 4 Average ( n = 50) time taken to determine ring membership in several complex structures from ChEBI and FULLERENE [[25]]

From: Efficient ring perception for the Chemistry Development Kit

Chemical structure

SpanningTree

RingSearch

 

t (ms)

sdev

t (ms)

sdev

cubane (CHEBI:33014)

1.18

1.24

0.21

0.66

dodecaboride (CHEBI:51706)

1.11

0.80

0.05

0.01

octacontaboron (CHEBI:50252)

100.18

52.87

0.44

0.18

C 60 fullerene (CHEBI:33128)

11.15

2.92

0.30

0.03

C 70 fullerene (CHEBI:33195)

10.44

4.25

0.88

0.23

C 320 fullerene (FULLERENE)

423.06

166.30

0.61

0.32

C 720 fullerene (FULLERENE)

3100.71

1171.62

1.65

0.66