3
Candidates
{"S": 2, "O": 4}
Ground Truth
{"S": 6, "O": 6}
Top-1 Prediction
0.500
Match Score
⚠ Per-candidate scores unavailable for sequential. Showing 30 candidates from single-ligand scoring.
For sequential results only top-1 prediction is stored.
#1
TOP-1
0.99 ± 0.00
CC[S]1(=O)CC[S](=O)(CC)->[Ru+2]<-1
#1
TOP-1
0.99 ± 0.00
CC[S]1(=O)CC[S](=O)(CC)->[Ru+2]<-1
#1
TOP-1
0.99 ± 0.00
CC[S]1(=O)CC[S](=O)(CC)->[Ru+2]<-1
#1
TOP-1
0.99 ± 0.00
CC[S]1(=O)CC[S](=O)(CC)->[Ru+2]<-1
#1
TOP-1
0.99 ± 0.00
CC[S]1(=O)CC[S](=O)(CC)->[Ru+2]<-1
#1
TOP-1
0.99 ± 0.00
CC[S]1(=O)CC[S](=O)(CC)->[Ru+2]<-1
#1
TOP-1
0.99 ± 0.00
CC[S]1(=O)CC[S](=O)(CC)->[Ru+2]<-1
#1
TOP-1
0.99 ± 0.00
CC[S]1(=O)CC[S](=O)(CC)->[Ru+2]<-1
#1
TOP-1
0.99 ± 0.00
CC[S]1(=O)CC[S](=O)(CC)->[Ru+2]<-1
#1
TOP-1
0.98 ± 0.03
CC[S]1(=O)CC[S](=O)(CC)->[Ru+2]<-1
#1
TOP-1
0.99 ± 0.01
CCc1occc2=[O]->[Ru+]3([O]c12)<-[S](=O)(CC)CC[S]->3(=O)CC
#1
TOP-1
0.99 ± 0.02
CCc1occc2=[O]->[Ru]34([O]c12)([O]c1c(CC)occc1=[O]->3)<-[S](=O)(CC)CC[S]->4(=O)CC
#2
0.98 ± 0.00
CCc1occc2=[O]->[Ru+][O]c12
#2
0.98 ± 0.00
CCc1occc2=[O]->[Ru+][O]c12
#2
0.98 ± 0.00
CCc1occc2=[O]->[Ru+][O]c12
#2
0.98 ± 0.00
CCc1occc2=[O]->[Ru+][O]c12
#2
0.98 ± 0.00
CCc1occc2=[O]->[Ru+][O]c12
#2
0.98 ± 0.00
CCc1occc2=[O]->[Ru+][O]c12
#2
0.98 ± 0.00
CCc1occc2=[O]->[Ru+][O]c12
#2
0.98 ± 0.00
CCc1occc2=[O]->[Ru+][O]c12
#2
0.98 ± 0.00
CCc1occc2=[O]->[Ru+][O]c12
#2
0.14 ± 0.10
CCS1CCS(CC)=[O]->[Ru+2]<-[O]=1
#2
0.89 ± 0.10
CCc1occc(=O)c1[O][Ru+]1<-[S](=O)(CC)CC[S]->1(=O)CC
#2
0.97 ± 0.06
CCc1occc(=O)c1[O][Ru]12([O]c3c(CC)occc3=[O]->1)<-[S](=O)(CC)CC[S]->2(=O)CC
#3
0.18 ± 0.00
CCS1CCS(CC)=[O]->[Ru+2]<-[O]=1
#3
0.18 ± 0.00
CCS1CCS(CC)=[O]->[Ru+2]<-[O]=1
#3
0.18 ± 0.00
CCS1CCS(CC)=[O]->[Ru+2]<-[O]=1
#3
0.18 ± 0.00
CCS1CCS(CC)=[O]->[Ru+2]<-[O]=1
#3
0.18 ± 0.00
CCS1CCS(CC)=[O]->[Ru+2]<-[O]=1
#3
0.18 ± 0.00
CCS1CCS(CC)=[O]->[Ru+2]<-[O]=1