Table 1 Elapsed time for single threaded similarity matrix computation
From: Atom-Atom-Path similarity and Sphere Exclusion clustering: tools for prioritizing fragment hits
Method | Number of compounds | Number of comparisons | Elapsed time |
|---|---|---|---|
FP | 40 | 1.6 103 | 0.5Â s |
FP | 400 | 1.6 105 | 0.7Â s |
FP | 4000 | 1.6 107 | 8Â s |
AAP | 40 | 1.6 103 | 1Â s |
AAP | 400 | 1.6 105 | 19Â s |
AAP | 4000 | 1.6 107 | 33Â min |
MOS | 40 | 1.6 103 | 62Â s |
MOS | 400 | 1.6 105 | 84Â min |
MOS | 4000 | 1.6 107 | ~6Â days |