Table 12 Average and median ( n = 15) time taken to find all rings using existing and improved implementations of AllRingsFinder
From: Efficient ring perception for the Chemistry Development Kit
Chemical structure | Old | New | ||||
|---|---|---|---|---|---|---|
| Â | t (ms) | median | sdev | t (ms) | median | sdev |
| Â | Â | t (ms) | Â | Â | t (ms) | Â |
chebi_108 | 16,293 | 16,179 | 540 | 599 | 574 | 105 |
nci_aug00 | 80,417 | 80,339 | 319 | 3,478 | 3,449 | 143 |
zinc_frag | 41,854 | 41,747 | 458 | 3,786 | 3,778 | 60 |
chembl_17 | 568,984 | 568,809 | 829 | 25,200 | 25,181 | 99 |
zinc_leads | 661,028 | 661,368 | 1133 | 54,490 | 54,471 | 101 |