Figure 6
From: Fast 3D shape screening of large chemical databases through alignment-recycling
ROCS versus alignment-recycling (AR) shape Tanimoto. A) Transform-Tanimoto equal to 0.75. B) Transform-Tanimoto equal to 0.74. C) Transform-Tanimoto equal to 0.73. The quality of the correlation improves as the Transform-Tanimoto threshold is decreased. Isocontours represent the distribution of AR alignments for each 0.01 ROCS shape Tanimoto interval. Distribution is successively partitioned at first percentile, first decile, first quartile, median, last quartile, last decile and last percentile. The scale on the side of each plot is proportional to the number of alignments in each partition.