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Table 1 SMARTS, ZINC lead-like, ZINC everything test sets

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

  1. All processable SMARTS split by the presence/absence of explicit hydrogen nodes and recursive environment specifications and the subsets used in the ZINC lead-like and ZINC everything set.