From: Efficient ring perception for the Chemistry Development Kit
Chemical | n structures | n fail (old) | n fail (new) |
---|---|---|---|
structure | Â | Â | Â |
chebi_108 | 26,790 | 108-117 | 41 |
nci_aug00 | 250,172 | 306-311 | 37 |
zinc_frag | 504,074 | 0 | 0 |
chembl_17 | 1,318,180 | 2528-2547 | 232 |
zinc_leads | 5,135,179 | 0 | 0 |