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
0.98 ± 0.00
CCc1occc2=[O]->[Ru+][O]c12
#1
TOP-1
0.98 ± 0.00
CCc1occc2=[O]->[Ru+][O]c12
#1
TOP-1
0.98 ± 0.00
CCc1occc2=[O]->[Ru+][O]c12
#1
TOP-1
0.98 ± 0.00
CCc1occc2=[O]->[Ru+][O]c12
#1
TOP-1
0.98 ± 0.00
CCc1occc2=[O]->[Ru+][O]c12
#1
TOP-1
0.98 ± 0.00
CCc1occc2=[O]->[Ru+][O]c12
#1
TOP-1
0.98 ± 0.00
CCc1occc2=[O]->[Ru+][O]c12
#1
TOP-1
0.98 ± 0.00
CCc1occc2=[O]->[Ru+][O]c12
#1
TOP-1
0.98 ± 0.00
CCc1occc2=[O]->[Ru+][O]c12
#1
TOP-1
0.98 ± 0.01
CCc1occc2=[O]->[Ru+][O]c12
#1
TOP-1
0.87 ± 0.17
CCc1occc2=[O]->[Ru]3([O]c12)[O]c1c(CC)occc1=[O]->3
#1
TOP-1
0.99 ± 0.03
CCc1occc2=[O]->[Ru]3([O]c12)([O]c1c(CC)occc1=[O]->3)<-[S]1(=O)CCCC1
#1
TOP-1
0.99 ± 0.03
CCc1occc2=[O]->[Ru]3([O]c12)([O]c1c(CC)occc1=[O]->3)(<-[S]1(=O)CCCC1)<-[S]1(=O)CCCC1
#2
0.28 ± 0.00
C1CCS(=[O]->[Ru+2]<-[O]=S2CCCC2)C1
#2
0.28 ± 0.00
C1CCS(=[O]->[Ru+2]<-[O]=S2CCCC2)C1
#2
0.28 ± 0.00
C1CCS(=[O]->[Ru+2]<-[O]=S2CCCC2)C1
#2
0.28 ± 0.00
C1CCS(=[O]->[Ru+2]<-[O]=S2CCCC2)C1
#2
0.28 ± 0.00
C1CCS(=[O]->[Ru+2]<-[O]=S2CCCC2)C1
#2
0.28 ± 0.00
C1CCS(=[O]->[Ru+2]<-[O]=S2CCCC2)C1
#2
0.28 ± 0.00
C1CCS(=[O]->[Ru+2]<-[O]=S2CCCC2)C1
#2
0.28 ± 0.00
C1CCS(=[O]->[Ru+2]<-[O]=S2CCCC2)C1
#2
0.28 ± 0.00
C1CCS(=[O]->[Ru+2]<-[O]=S2CCCC2)C1
#2
0.10 ± 0.11
CCc1occc(=O)c1[O][Ru+]
#2
0.71 ± 0.24
CCc1occc(=O)c1[O][Ru]1[O]c2c(CC)occc2=[O]->1
#2
0.72 ± 0.38
CCc1occc2=[O]->[Ru]3([O]c12)([O]c1c(CC)occc1=[O]->3)<-[O]=S1CCCC1
#2
0.95 ± 0.09
CCc1occc2=[O]->[Ru]3([O]c12)([O]c1c(CC)occc1=[O]->3)(<-[O]=S1CCCC1)<-[S]1(=O)CCCC1
#3
0.25 ± 0.00
[Ru+2]<-[O]=S1CCCC1
#3
0.25 ± 0.00
[Ru+2]<-[O]=S1CCCC1
#3
0.25 ± 0.00
[Ru+2]<-[O]=S1CCCC1
#3
0.25 ± 0.00
[Ru+2]<-[O]=S1CCCC1