3
Candidates
{"N": 5, "P": 1}
Ground Truth
{"P": 5, "N": 3}
Top-1 Prediction
0.400
Match Score
⚠ Per-candidate scores unavailable for sequential. Showing 12 candidates from single-ligand scoring.
For sequential results only top-1 prediction is stored.
#1
TOP-1
1.00 ± 0.00
C[N+]12CN3CN(C1)C[P](->[Ru+2])(C3)C2
#1
TOP-1
0.81 ± 0.21
C[N+]12CN3CN(C1)C[P](->[Ru+2]<-[P]14CN5CN(C[N+](C)(C5)C1)C4)(C3)C2
#1
TOP-1
0.91 ± 0.20
C[N+]12CN3CN(C1)C[P](->[Ru+2]14(<-[n]5cccn5[BH-](n5ccc[n]->15)n1ccc[n]->41)<-[P]14CN5CN(C[N+](C)(C5)...
#2
0.01 ± 0.01
C[N+]12CN3C[N]4(->[Ru+2]<-[P](C3)(C4)C1)C2
#2
0.19 ± 0.31
C[N+]12CN3CN(C1)C[P](->[Ru+2]1<-[N]45CN6C[N+](C)(C4)C[P]->1(C6)C5)(C3)C2
#2
0.03 ± 0.04
C[N+]12CN3CN(C1)C[P](->[Ru+2]1(<-[n]4cccn4[BH-](n4cccn4)n4ccc[n]->14)<-[P]14CN5CN(C[N+](C)(C5)C1)C4)...
#3
0.01 ± 0.01
C[N+]12CN3CP(C[N](->[Ru+2])(C3)C1)C2
#3
0.00 ± 0.00
C[N+]12CP3C[N]4(->[Ru+2](<-[N](C3)(C4)C1)<-[P]13CN4CN(C[N+](C)(C4)C1)C3)C2
#3
0.00 ± 0.00
C[N+]12CN3CN(C1)C[P](->[Ru+2](<-[n]1cccn1[BH-](n1cccn1)n1cccn1)<-[P]14CN5CN(C[N+](C)(C5)C1)C4)(C3)C2
#4
0.00 ± 0.00
C[N+]12CP3C[N]4(->[Ru+2]<-[N](C3)(C4)C1)C2
#4
0.00 ± 0.00
C[N+]12CN3CP(C[N](->[Ru+2]<-[P]45CN6CN(C[N+](C)(C6)C4)C5)(C3)C1)C2
#4
0.00 ± 0.00
C[N+]12CN3CN(C1)C[P](->[Ru+2](<-[cH]1cnn([BH-](n4cccn4)n4cccn4)c1)<-[P]14CN5CN(C[N+](C)(C5)C1)C4)(C3...