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. 2020 Dec 3;60(12):6298–6313. doi: 10.1021/acs.jcim.0c01038

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