4
Candidates
{"O": 4, "S": 2}
Ground Truth
{"O": 14, "S": 3}
Top-1 Prediction
0.353
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
0.97 ± 0.00
Cc1occc2=[O]->[Ru+][O]c12
#1
TOP-1
0.97 ± 0.00
Cc1occc2=[O]->[Ru+][O]c12
#1
TOP-1
0.97 ± 0.00
Cc1occc2=[O]->[Ru+][O]c12
#1
TOP-1
0.97 ± 0.00
Cc1occc2=[O]->[Ru+][O]c12
#1
TOP-1
0.97 ± 0.00
Cc1occc2=[O]->[Ru+][O]c12
#1
TOP-1
0.97 ± 0.00
Cc1occc2=[O]->[Ru+][O]c12
#1
TOP-1
0.97 ± 0.00
Cc1occc2=[O]->[Ru+][O]c12
#1
TOP-1
0.97 ± 0.00
Cc1occc2=[O]->[Ru+][O]c12
#1
TOP-1
0.97 ± 0.00
Cc1occc2=[O]->[Ru+][O]c12
#1
TOP-1
0.98 ± 0.01
Cc1occc2=[O]->[Ru+][O]c12
#1
TOP-1
0.87 ± 0.18
Cc1occc2=[O]->[Ru]3([O]c12)[O]c1c(C)occc1=[O]->3
#1
TOP-1
0.99 ± 0.02
Cc1occc2=[O]->[Ru]3([O]c12)([O]c1c(C)occc1=[O]->3)<-[S]1(=O)CCCC1
#1
TOP-1
0.98 ± 0.03
Cc1occc2=[O]->[Ru]3([O]c12)([O]c1c(C)occc1=[O]->3)(<-[S]1(=O)CCCC1)<-[S]1(=O)CCCC1
#2
0.29 ± 0.00
C1CCS(=[O]->[Ru+2]<-[O]=S2CCCC2)C1
#2
0.29 ± 0.00
C1CCS(=[O]->[Ru+2]<-[O]=S2CCCC2)C1
#2
0.29 ± 0.00
C1CCS(=[O]->[Ru+2]<-[O]=S2CCCC2)C1
#2
0.29 ± 0.00
C1CCS(=[O]->[Ru+2]<-[O]=S2CCCC2)C1
#2
0.29 ± 0.00
C1CCS(=[O]->[Ru+2]<-[O]=S2CCCC2)C1
#2
0.29 ± 0.00
C1CCS(=[O]->[Ru+2]<-[O]=S2CCCC2)C1
#2
0.29 ± 0.00
C1CCS(=[O]->[Ru+2]<-[O]=S2CCCC2)C1
#2
0.29 ± 0.00
C1CCS(=[O]->[Ru+2]<-[O]=S2CCCC2)C1
#2
0.29 ± 0.00
C1CCS(=[O]->[Ru+2]<-[O]=S2CCCC2)C1
#2
0.08 ± 0.10
Cc1occc(=O)c1[O][Ru+]
#2
0.67 ± 0.23
Cc1occc(=O)c1[O][Ru]1[O]c2c(C)occc2=[O]->1
#2
0.70 ± 0.37
Cc1occc2=[O]->[Ru]3([O]c12)([O]c1c(C)occc1=[O]->3)<-[O]=S1CCCC1
#2
0.94 ± 0.09
Cc1occc2=[O]->[Ru]3([O]c12)([O]c1c(C)occc1=[O]->3)(<-[O]=S1CCCC1)<-[S]1(=O)CCCC1
#3
0.23 ± 0.00
[Ru+2]<-[O]=S1CCCC1
#3
0.23 ± 0.00
[Ru+2]<-[O]=S1CCCC1
#3
0.23 ± 0.00
[Ru+2]<-[O]=S1CCCC1
#3
0.23 ± 0.00
[Ru+2]<-[O]=S1CCCC1