From: Systematic benchmark of substructure search in molecular graphs - From Ullmann to VF2
all SMARTS | ZINC lead-like set | ZINC everything set | ||||
---|---|---|---|---|---|---|
no H nodes | H nodes | no H nodes | H nodes | no H nodes | H nodes | |
no recursion | 504 | 432 | 347 | 56 | 400 | 43 |
recursion | 234 | 65 | 48 | 18 | 106 | 39 |