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Table 1 Pairwise post-hoc Friedman tests

From: Open-source platform to benchmark fingerprints for ligand-based virtual screening

  TT AP ECFC4 RDK5 Avalon lAvalon FCFP4 lECFP4 FCFC4 lECFP6 ECFP4 ECFP6 MACCS ECFC0 Rank
TT   X X X X - - - - - - - - - 1
AP    X X X X o o - - - - - - 1
ECFC4     X X X X X o o o - - - 1
RDK5      X X X X X o o - - - 1
Avalon       X X X X o o - - - 1
lAvalon        X X X X X X - - 1
FCFP4         X X X X X - - 1
lECFP4          X X X X - - 1
FCFC4           X X X o - 1
lECFP6            X X o o 1
ECFP4             X o o 1
ECFP6              X o 1
MACCS               X 1
ECFC0                1
  lECFP4 TT lECFP6 ECFP4 ECFC4 ECFP6 FCFP4 RDK5 AP Avalon lAvalon FCFC4 MACCS ECFC0 Rank
lECFP4   X X X X o o o - - - - - - 1
TT    X X X X X X o o - - - - 1
lECFP6     X X X X X o o o - - - 1
ECFP4      X X X X X X X - - - 1
ECFC4       X X X X X X - - - 1
ECFP6        X X X X X o - - 1
FCFP4         X X X X - - - 1
RDK5          X X X o - - 1
AP           X X o - - 1
Avalon            X X - - 1
lAvalon             X - - 1
FCFC4              - - 1
MACCS               X 13
ECFC0                13
  1. Results from pairwise post-hoc Friedman tests of the average rank between 14 2D fingerprints for the evaluation methods AUC (top) and BEDROC(20) (bottom). Pairs of fingerprints with no statistically significant difference are marked with “X”, pairs with an adjusted p-value distribution around the confidence level α with “o”, and pairs with a statistically significant difference with “-”. Fingerprints are ordered according to ascending average rank.