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Table 1 Comparison of observed and theoretically expected average numbers of InChIKey second block collisions for stereoisomers of Spongistatin I

From: InChIKey collision resistance: an experimental testing

Number of isomers,k

Expected value of the number of collisions for a 37-bit hash, D2

Observed average number of collisions,N2

Number of random samplings,m

10000

0.0004

0.0004

10000

50000

0.0091

0.0125

10000

100000

0.0364

0.0364

10000

250000

0.2274

0.2264

10000

370000

0.4980

0.5011

10000

500000

0.9095

0.9091

10000

1000000

3.6380

3.6390

10000

2000000

14.5519

14.6810

1000

4000000

58.2076

58.6810

1000

8000000

232.8306

234.9040

1000

16000000

931.3225

941.2460

1000

32000000

3725.2902

3766.7530

1000

67108864

16383.9998

16565.0000

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