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Table 4 Descriptive statistics of CSM for 336 asymmetric isomers of C100

From: Continuous symmetry and chirality measures: approximate algorithms for large molecular structures

 

CSM

Exact

Hungarian

Greedy

Structure preservation

Fibonacci with 100 directions

Fibonacci with 500 directions

S(Ci)

Mean

100

0.8347

1.8239

100

  

Standard deviation

0

0.0843

0.5725

0

  

Minimum

100

0.6138

0.7364

100

  

Median

100

0.8227

1.8086

100

  

Maximum

100

1.1309

3.8252

100

  

S(Cs)

Mean

26.9289

0.4897

0.7488

26.9289

0.2924

0.2372

Standard deviation

1.6458

0.1776

0.3218

1.6458

0.1168

0.0939

Minimum

22.7810

0.0802

0.0802

22.7810

0.0432

0.0426

Median

26.7276

0.5341

0.8045

26.7276

0.2964

0.2388

Maximum

31.8030

0.7872

1.6703

31.8030

0.6135

0.5371