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. 2019 May 21;11:32. doi: 10.1186/s13321-019-0354-7

Table 1.

Energy difference: Wilcoxon signed-rank test on each method pair

Method-pair Nrot 1,2,3 4 5 6
Uniform-EI 8.1×10-24 4.5×10-23 3.5×10-17 2.8×10-15
Uniform-LCB 4.5×10-24 4.5×10-23 3.7×10-17 2.6×10-15
EI-LCB 0.02 0.44 0.89 0.09

Molecules with three or fewer rotatable bonds (Nrot:1,2,3) are grouped together due to small sample size. The p-values are rounded to 2 significant figures