Table 2 Structure preservation during approximate CSM calculations for 159 conformers of pillar[5]arene
From: Continuous symmetry and chirality measures: approximate algorithms for large molecular structures
Algorithm | S(C5) (%) | S(C2) (%) | S(Cs) (%) |
|---|---|---|---|
Structure-preservation | 100 | 100 | 100 |
Hungarian | 67 | 86 | 85 |
Greedy | 63 | 84 | 82 |
Fibonacci lattice (100 directions) | 67 | 90 | 87 |
Fibonacci lattice (500 directions) | 67 | 90 | 87 |