3
Candidates
{"P": 1, "N": 5}
Ground Truth
{"P": 3, "N": 5}
Top-1 Prediction
0.750
Match Score
⚠ Per-candidate scores unavailable for sequential. Showing 30 candidates from single-ligand scoring.
For sequential results only top-1 prediction is stored.
#1
TOP-1
0.85 ± 0.00
c1cnn(C2n3ccc[n]3->[Ru+2]<-[n]3cccn32)c1
#1
TOP-1
0.85 ± 0.00
c1cnn(C2n3ccc[n]3->[Ru+2]<-[n]3cccn32)c1
#1
TOP-1
0.85 ± 0.00
c1cnn(C2n3ccc[n]3->[Ru+2]<-[n]3cccn32)c1
#1
TOP-1
0.85 ± 0.00
c1cnn(C2n3ccc[n]3->[Ru+2]<-[n]3cccn32)c1
#1
TOP-1
0.85 ± 0.00
c1cnn(C2n3ccc[n]3->[Ru+2]<-[n]3cccn32)c1
#1
TOP-1
0.85 ± 0.00
c1cnn(C2n3ccc[n]3->[Ru+2]<-[n]3cccn32)c1
#1
TOP-1
0.85 ± 0.00
c1cnn(C2n3ccc[n]3->[Ru+2]<-[n]3cccn32)c1
#1
TOP-1
0.85 ± 0.00
c1cnn(C2n3ccc[n]3->[Ru+2]<-[n]3cccn32)c1
#1
TOP-1
0.85 ± 0.00
c1cnn(C2n3ccc[n]3->[Ru+2]<-[n]3cccn32)c1
#1
TOP-1
0.99 ± 0.01
[Ru+2]<-[P](c1ccccc1)(c1ccccc1)c1ccccc1
#1
TOP-1
0.84 ± 0.29
c1ccc([P](->[Ru+2]<-[n]2c[nH]c3ccccc32)(c2ccccc2)c2ccccc2)cc1
#1
TOP-1
0.89 ± 0.15
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+2]23(<-[n]4c[nH]c5ccccc54)<-[n]4cccn4C(n4ccc[n]->24)n2ccc[n]->32)...
#2
0.31 ± 0.00
c1ccc2c(c1)[nH]c[n]2->[Ru+2]1<-[n]2cccn2C(n2cccn2)n2ccc[n]->12
#2
0.31 ± 0.00
c1ccc2c(c1)[nH]c[n]2->[Ru+2]1<-[n]2cccn2C(n2cccn2)n2ccc[n]->12
#2
0.31 ± 0.00
c1ccc2c(c1)[nH]c[n]2->[Ru+2]1<-[n]2cccn2C(n2cccn2)n2ccc[n]->12
#2
0.31 ± 0.00
c1ccc2c(c1)[nH]c[n]2->[Ru+2]1<-[n]2cccn2C(n2cccn2)n2ccc[n]->12
#2
0.31 ± 0.00
c1ccc2c(c1)[nH]c[n]2->[Ru+2]1<-[n]2cccn2C(n2cccn2)n2ccc[n]->12
#2
0.31 ± 0.00
c1ccc2c(c1)[nH]c[n]2->[Ru+2]1<-[n]2cccn2C(n2cccn2)n2ccc[n]->12
#2
0.31 ± 0.00
c1ccc2c(c1)[nH]c[n]2->[Ru+2]1<-[n]2cccn2C(n2cccn2)n2ccc[n]->12
#2
0.31 ± 0.00
c1ccc2c(c1)[nH]c[n]2->[Ru+2]1<-[n]2cccn2C(n2cccn2)n2ccc[n]->12
#2
0.31 ± 0.00
c1ccc2c(c1)[nH]c[n]2->[Ru+2]1<-[n]2cccn2C(n2cccn2)n2ccc[n]->12
#2
0.00 ± 0.00
c1ccc(P(c2ccccc2)c2ccc[cH]3->[Ru+2]<-[cH]23)cc1
#2
0.04 ± 0.02
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+2]234[CH]5c6nc[nH]c6[CH]2[CH]3[CH]54)cc1
#2
0.21 ± 0.26
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+2]2(<-[n]3c[nH]c4ccccc43)<-[n]3cccn3C(n3cccn3)n3ccc[n]->23)cc1
#3
0.01 ± 0.00
c1nc2c[cH]3->[Ru+]4<-[cH](c2[nH]1)[cH]->43
#3
0.01 ± 0.00
c1nc2c[cH]3->[Ru+]4<-[cH](c2[nH]1)[cH]->43
#3
0.01 ± 0.00
c1nc2c[cH]3->[Ru+]4<-[cH](c2[nH]1)[cH]->43
#3
0.01 ± 0.00
c1nc2c[cH]3->[Ru+]4<-[cH](c2[nH]1)[cH]->43
#3
0.01 ± 0.00
c1nc2c[cH]3->[Ru+]4<-[cH](c2[nH]1)[cH]->43
#3
0.01 ± 0.00
c1nc2c[cH]3->[Ru+]4<-[cH](c2[nH]1)[cH]->43