3
Candidates
{"N": 4, "P": 1}
Ground Truth
{"P": 5, "N": 3}
Top-1 Prediction
0.444
Match Score
⚠ Per-candidate scores unavailable for sequential. Showing 10 candidates from single-ligand scoring.
For sequential results only top-1 prediction is stored.
#1
TOP-1
0.99 ± 0.02
[Ru+2]<-[P]12CN3CN(CN(C3)C1)C2
#1
TOP-1
0.99 ± 0.01
CO[P](OC)(OC)->[Ru+2]<-[P]12CN3CN(CN(C3)C1)C2
#1
TOP-1
1.00 ± 0.00
CO[P](OC)(OC)->[Ru+2]12(<-[n]3cccn3[BH-](n3ccc[n]->13)n1ccc[n]->21)<-[P]12CN3CN(CN(C3)C1)C2
#2
0.02 ± 0.04
C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4
#2
0.19 ± 0.17
CO[P](OC)(OC)->[Ru+2]1(<-[n]2cccn2[BH-](n2cccn2)n2ccc[n]->12)<-[P]12CN3CN(CN(C3)C1)C2
#3
0.01 ± 0.01
[Ru+2]<-[N]12CN3CN(CP(C3)C1)C2
#3
0.01 ± 0.01
CO[P](OC)(OC)->[Ru+2](<-[n]1cccn1[BH-](n1cccn1)n1cccn1)<-[P]12CN3CN(CN(C3)C1)C2
#4
0.00 ± 0.01
C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4
#4
0.00 ± 0.00
CO[P](OC)(OC)->[Ru+2](<-[cH]1cnn([BH-](n2cccn2)n2cccn2)c1)<-[P]12CN3CN(CN(C3)C1)C2
#5
0.00 ± 0.00
C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4