From: Fast 3D shape screening of large chemical databases through alignment-recycling
Method
Shape Tanimoto Threshold
0.75
0.80
0.85
ROCS
164 337.3
45 596.5
7 886.8
AR-0.73
135 505.9
36 670.3
6 267.1
Ratio (AR-0.73/ROCS)
82.5%
80.4%
79.5%