3
Candidates
{"P": 1, "N": 4}
Ground Truth
{"P": 5, "N": 3}
Top-1 Prediction
0.444
Match Score
⚠ Per-candidate scores unavailable for sequential. Showing 22 candidates from single-ligand scoring.
For sequential results only top-1 prediction is stored.
#1
TOP-1
1.00 ± 0.00
C[P](C)(->[Ru+2])c1ccccc1
#1
TOP-1
0.97 ± 0.06
C[N+]12CN3CN(C1)C[P](->[Ru+2]<-[P](C)(C)c1ccccc1)(C3)C2
#1
TOP-1
0.99 ± 0.02
C[N+]12CN3CN(C1)C[P](->[Ru+2]14(<-[n]5cccn5[BH-](n5ccc[n]->15)n1ccc[n]->41)<-[P](C)(C)c1ccccc1)(C3)C...
#2
0.00 ± 0.00
C[P]1(C)->[Ru+2]<-[cH]2cccc1c2
#2
0.23 ± 0.35
C[N+]12CN3C[N]4(->[Ru+2](<-[P](C3)(C4)C1)<-[P](C)(C)c1ccccc1)C2
#2
0.07 ± 0.08
C[N+]12CN3CN(C1)C[P](->[Ru+2]1(<-[n]4cccn4[BH-](n4cccn4)n4ccc[n]->14)<-[P](C)(C)c1ccccc1)(C3)C2
#3
0.00 ± 0.00
C[P]1(C)->[Ru+2]<-[cH]2ccc1cc2
#3
0.00 ± 0.00
C[N+]12CP3C[N]4(->[Ru+2](<-[N](C3)(C4)C1)<-[P](C)(C)c1ccccc1)C2
#3
0.00 ± 0.00
C[N+]12CN3CN(C1)C[P](->[Ru+2](<-[n]1cccn1[BH-](n1cccn1)n1cccn1)<-[P](C)(C)c1ccccc1)(C3)C2
#4
0.00 ± 0.00
CP(C)c1ccc[cH]2->[Ru+2]<-[cH]12
#4
0.00 ± 0.00
C[N+]12CN3CP(C[N](->[Ru+2]<-[P](C)(C)c4ccccc4)(C3)C1)C2
#4
0.00 ± 0.00
C[N+]12CN3CN(C1)C[P](->[Ru+2](<-[cH]1cnn([BH-](n4cccn4)n4cccn4)c1)<-[P](C)(C)c1ccccc1)(C3)C2
#5
0.00 ± 0.00
CP(C)c1cc[cH]2->[Ru+2]<-[cH]2c1
#6
0.00 ± 0.00
CP(C)c1cc[cH]2->[Ru+]3<-[cH]1[cH]->32
#7
0.00 ± 0.00
CP(C)c1c[cH]2->[Ru+]3<-[cH](c1)[cH]->32
#8
0.00 ± 0.00
CP(C)c1c[cH]2->[Ru+2]34<-[cH]1[cH]->3[cH]->42
#9
0.00 ± 0.00
CP(C)C1=CC=C[CH]2[Ru+2][CH]12
#10
0.00 ± 0.00
CP(C)C1=C[CH]2[Ru+2][CH]2C=C1
#11
0.00 ± 0.00
CP(C)C1=C[CH]2[CH]3[CH]4[CH]1[Ru+2]234
#12
0.00 ± 0.00
CP(C)c1cc[cH](->[Ru+2])cc1
#13
0.00 ± 0.00
CP(C)c1cccc[cH]1->[Ru+2]
#14
0.00 ± 0.00
CP(C)c1ccc[cH](->[Ru+2])c1