Table 3. Summary Table of the Exhaustiveness and SE, Number of Conformers, and TFs.
method | exhaustiveness | unique TF (median) | number of conformers (median) | SE |
---|---|---|---|---|
Prime | 208/208 = 1 | 707 | 932 | 0.7586 |
MM | 208/208 = 1 | 100 | 300 | 0.3333 |
MOE | 208/208 = 1 | 48 | 76 | 0.6316 |
MD | 208/208 = 1 | 59 | 1000 | 0.0590 |
Moloc | 208/208 = 1 | 67 | 67 | 1 |
conformator | 190/208 = 0.91 | 246 | 338 | 0.6648 |
ETKDG | 208/208 = 1 | 1000 | 1000 | 1 |
MMFF94s | 197/208 = 0.95 | 998 | 998 | 0.9471 |
UFF | 197/208 = 0.95 | 535 | 535 | 0.9471 |
CCDC | 208/208 = 1 | 6 | 8 | 0.7500 |