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 23 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
0.94 ± 0.11
C[P](C)(->[Ru+2]<-[P]12CN3CN(CN(C3)C1)C2)c1ccccc1
#1
TOP-1
0.98 ± 0.02
C[P](C)(c1ccccc1)->[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
0.01 ± 0.01
CP(C)C1=CC=C[CH]2[CH]1[Ru+2]2<-[P]12CN3CN(CN(C3)C1)C2
#2
0.06 ± 0.07
C[P](C)(c1ccccc1)->[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
0.00 ± 0.01
CP(C)C1=C[CH]2[CH]3[CH]4[CH]1[Ru+2]234<-[P]12CN3CN(CN(C3)C1)C2
#3
0.00 ± 0.00
C[P](C)(c1ccccc1)->[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
CP(C)C1=C[CH]2[CH](C=C1)[Ru+2]2<-[P]12CN3CN(CN(C3)C1)C2
#4
0.00 ± 0.00
C[P](C)(c1ccccc1)->[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
#5
0.00 ± 0.00
CP(C)c1cc[cH]2->[Ru+]3(<-[cH]1[cH]->32)<-[P]12CN3CN(CN(C3)C1)C2
#6
0.00 ± 0.00
CP(C)c1c[cH]2->[Ru+2]34(<-[cH]1[cH]->3[cH]->42)<-[P]12CN3CN(CN(C3)C1)C2
#7
0.00 ± 0.00
CP(C)c1ccc[cH]2->[Ru+2](<-[cH]12)<-[P]12CN3CN(CN(C3)C1)C2
#8
0.00 ± 0.00
CP(C)c1cc[cH]2->[Ru+2](<-[cH]2c1)<-[P]12CN3CN(CN(C3)C1)C2
#9
0.00 ± 0.00
C[P]1(C)c2ccc[cH](->[Ru+2]<-1<-[P]13CN4CN(CN(C4)C1)C3)c2
#10
0.00 ± 0.00
CP(C)c1c[cH]2->[Ru+]3(<-[cH](c1)[cH]->32)<-[P]12CN3CN(CN(C3)C1)C2
#11
0.00 ± 0.00
C[P]1(C)c2cc[cH](->[Ru+2]<-1<-[P]13CN4CN(CN(C4)C1)C3)cc2
#12
0.00 ± 0.00
CP(C)c1cccc[cH]1->[Ru+2]<-[P]12CN3CN(CN(C3)C1)C2
#13
0.00 ± 0.00
CP(C)c1cc[cH](->[Ru+2]<-[P]23CN4CN(CN(C4)C2)C3)cc1
#14
0.00 ± 0.00
CP(C)c1ccc[cH](->[Ru+2]<-[P]23CN4CN(CN(C4)C2)C3)c1