Table 3.
Average number of fragments and bit-collisions when folding circular fingerprints on our datasets
| Type | Fragments | 1024 | 2048 | 4096 | 8192 | ||||
|---|---|---|---|---|---|---|---|---|---|
| Rate | Bit-load | Rate | Bit-load | Rate | Bit-load | Rate | Bit-load | ||
| ecfp6 | 80,342.54 | 1 | 78.46 | 0.99 | 39.24 | 0.98 | 19.64 | 0.95 | 9.86 |
| ecfp4 | 23,874.58 | 0.99 | 23.32 | 0.98 | 11.68 | 0.94 | 5.89 | 0.8 | 3.11 |
| ecfp2 | 2169.37 | 0.7 | 2.39 | ||||||
| ecfp0 | 57.01 | ||||||||
Rate is the ratio of bit positions that are mapped by more than one fragment (e.g., 99% of bit-positions correspond to multiple fragments for ECFP4 and bit-vector size 1024). Bit-load is the mean number of fragments that are mapped to a single bit