From: Efficient ring perception for the Chemistry Development Kit
Chemical structure | n structures | Old | New | ||
---|---|---|---|---|---|
 |  | Cycles | sdev | Cycles | sdev |
chebi_108 | 26,790 | 98,597 | 199 | 126,713 | 0 |
nci_aug00 | 250,172 | 936,625 | 409 | 1,007,643 | 0 |
zinc_frag | 504,074 | 1,022,498 | 0 | 1,022,498 | 0 |
chembl_17 | 1,318,180 | 6,176,585 | 378 | 6,599,942 | 0 |
zinc_leads | 5,135,179 | 14,816,752 | 0 | 14,816,752 | 0 |