3
Candidates
{"N": 8}
Ground Truth
{"N": 12}
Top-1 Prediction
0.667
Match Score
⚠ Per-candidate scores unavailable for sequential. Showing 19 candidates from single-ligand scoring.
For sequential results only top-1 prediction is stored.
#1
TOP-1
0.89 ± 0.18
Cc1ccc2c(n1)c1nc(C)ccc1c1c2[n]2->[Ru+2]<-[n]1cc2
#2
0.44 ± 0.11
Cc1ccc2c3nccnc3c3ccc(C)[n]4->[Ru+2]<-[n]1c2c34
#3
0.13 ± 0.22
Cc1ccc2c3c4c5ccc(C)[n]6->[Ru+2]7(<-[n]3cc[n]->74)<-[n]1c2c56
#4
0.04 ± 0.03
Cc1ccc2c(n1)c1nc(C)ccc1c1c2ncc[n]1->[Ru+2]
#5
0.02 ± 0.02
Cc1ccc2c3ncc[n]4->[Ru+2]<-[n]5c(C)ccc(c34)c5c2n1
#6
0.01 ± 0.01
Cc1ccc2c(n1)c1c3ccc(C)[n]1->[Ru+2]1<-[n]4cc[n]->1c3c24
#7
0.01 ± 0.01
Cc1ccc2c3nccnc3c3ccc(C)[n](->[Ru+2])c3c2n1
#8
0.01 ± 0.01
Cc1ccc2c(n1)c1c3ccc(C)[n]1->[Ru+2]<-[n]1ccnc3c21
#9
0.01 ± 0.01
Cc1ccc2c3ncc[n]4->[Ru+2]5<-[n]1c2c1c(ccc(C)[n]->51)c34
#10
0.01 ± 0.01
Cc1ccc2c3c(c4ccc(C)nc4c2n1)[N]1[CH]2[CH]4[N]3[Ru+2]421
#11
0.00 ± 0.00
Cc1ccc2c(n1)c1nc(C)[cH]3->[Ru+2]4<-[cH]3c1c1c2ncc[n]->41
#12
0.00 ± 0.00
Cc1ccc2c(n1)c1nc(C)[cH]3->[Ru+2]4<-[cH]3c1c1ncc[n]->4c21
#13
0.00 ± 0.00
Cc1ccc2c3nccnc3c3cc[c]4(C)->[Ru+2]<-[n]4c3c2n1
#14
0.00 ± 0.00
Cc1ccc2c3nccnc3c3c(nc(C)[cH]4->[Ru+2]<-[cH]34)c2n1
#15
0.00 ± 0.00
Cc1nc2c3c4nccnc4c4ccc(C)[n](->[Ru+2]5<-[cH]1[cH]->53)c42
#16
0.00 ± 0.00
Cc1c[cH]2->[Ru+2]3<-[cH]4c(C)nc5c(n1)c2c1nccnc1c5[cH]->34
#17
0.00 ± 0.00
Cc1nc2c3c[cH]1->[Ru+2]1<-[cH]4c(C)nc2c(c2nccnc32)[cH]->14
#18
0.00 ± 0.00
Cc1ccc2c3nccnc3c3c[cH](->[Ru+2])c(C)nc3c2n1
#19
0.00 ± 0.00
Cc1ccc2c3nccnc3c3c(nc(C)c[cH]3->[Ru+2])c2n1