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. 2022 Jul 28;14:50. doi: 10.1186/s13321-022-00629-0

Table 2.

Pairwise comparison of scoring methods surflex-dock (surf), ICM, and their consensus (maxz), at three testing fractions decided a priori. For each pair of scoring methods, differences and standard errors of estimated hit enrichment curves are shown, along with raw and Benjamini-Hochberg adjusted p-values

N tested = 3 (r=0.001) N tested = 32 (r=0.01) N tested = 321 (r=0.1)
Diff Std Err Raw p Adj p Diff Std Err Raw p Adj p Diff Std Err Raw p Adj p
EmProc
 maxz - surf 0.0000 0.0005 1.000 1.000 − 0.0118 0.0237 0.6200 0.6970 0.0588 0.0254 2.07e−02 6.21e−02
 maxz - icm 0.0118 0.0143 0.410 0.527 0.0824 0.0402 0.0407 0.0733 0.3060 0.0541 1.60e−08 1.44e−07
 surf - icm 0.0118 0.0142 0.409 0.527 0.0941 0.0429 0.0281 0.0632 0.2470 0.0626 7.91e−05 3.56e−04
McNemar
 maxz - surf 0.0000 0.0000 1.000 1.000 − 0.0118 0.0311 0.705 0.794 0.0588 0.0255 2.53e−02 7.60e−02
 maxz - icm 0.0118 0.0203 0.564 0.725 0.0824 0.0557 0.144 0.260 0.3060 0.0552 2.07e−06 1.86e−05
 surf - icm 0.0118 0.0203 0.564 0.725 0.0941 0.0614 0.131 0.260 0.2470 0.0642 3.86e−04 1.74e−03
IndJZ
 maxz - surf 0.0000 0.0138 1.000 1.000 − 0.0118 0.0497 0.8130 0.915 0.0588 0.0609 3.34e−01 5.28e−01
 maxz - icm 0.0118 0.0143 0.411 0.528 0.0824 0.0482 0.0874 0.197 0.3060 0.0668 4.74e−06 4.26e−05
 surf - icm 0.0118 0.0143 0.409 0.528 0.0941 0.0471 0.0458 0.137 0.2470 0.0693 3.63e−04 1.64e−03
CorrBinom
 maxz - surf 0.0000 0.0000 1.000 1.000 − 0.0118 0.0311 0.705 0.793 0.0588 0.0255 2.12e−02 6.35e−02
 maxz - icm 0.0118 0.0203 0.563 0.724 0.0824 0.0557 0.139 0.251 0.3060 0.0552 3.07e−08 2.76e−07
 surf - icm 0.0118 0.0203 0.563 0.724 0.0941 0.0614 0.125 0.251 0.2470 0.0642 1.20e−04 5.40e−04