From: Fast 3D shape screening of large chemical databases through alignment-recycling
Method | CPU Time (min.) | ||
---|---|---|---|
 | Average | Minimum | Maximum |
ROCS | 136 | 113 | 216 |
AR-0.73 (Total) a | 1.28 | 0.33 | 3.32 |
AR-0.73 (Screening part) | 1.11 | 0.17 | 3.13 |
AR-0.74 (Screening part) | 0.65 | 0.15 | 1.85 |
AR-0.75 (Screening part) | 0.38 | 0.11 | 1.15 |
Query vs. 5 534 AR Reference Shapes | 0.17 | 0.12 | 0.27 |