Skip to main content

Advertisement

Table 1 Slopes (b) and squared correlation coefficients (r2) for log-log plots of the overlap of molecules and the overlap of scaffolds using similarity fusion and group fusion

From: Multiple search methods for similarity-based virtual screening: analysis of search overlap and precision

  Molecules Scaffolds
  b r 2 b r 2
  Similarity fusion   
WOMBAT top-1% -1.98 0.966 -1.95 0.965
WOMBAT top-5% -1.75 0.919 -1.71 0.893
MDDR top-1% -2.17 0.959 -2.16 0.950
MDDR top-5% -1.89 0.906 -1.89 0.881
   Group fusion   
WOMBAT top-1% -2.49 0.957 -2.46 0.946
WOMBAT top-5% -2.12 0.951 -2.09 0.921
MDDR top-1% -2.32 0.952 -2.37 0.938
MDDR top-5% -2.01 0.980 -2.00 0.968