Compare #577 — BiometalDB

{"N": 2}

Ground Truth

0.000

Single-lig

0.000

Sequential

+0.000

Δ Sequential

Single-ligand (v1) — 243 candidates

Pred: C:6(eta)

#2 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.041

#3 Cc1ccc(/N=C/c2ccccc2N)[cH]2->[Ru+2]<-[cH]12 0.002

#4 Cc1ccc(/N=C/C2=C(N)[CH]3[Ru+2][CH]3C=C2)cc1 0.001

#5 Cc1ccc([N]2=Cc3c(N)ccc[cH]3->[Ru+2]<-2)cc1 0.001

#6 Cc1ccc(/N=C/c2c(N)c[cH]3->[Ru+]4<-[cH]2[cH]->43)cc1 0.000

#7 Cc1ccc(/N=C/c2c(N)[cH]3->[Ru+2]45<-[cH]2[cH]->4[cH]->53)cc1 0.000

#8 Cc1ccc(/N=C/c2c[cH]3->[Ru+]4<-[cH](c2N)[cH]->43)cc1 0.000

#9 Cc1ccc(/N=C/C2=C(N)C=C[CH]3[Ru+2][CH]23)cc1 0.000

#10 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000

#11 Cc1ccc(/N=C/c2ccc[cH](->[Ru+2])c2N)cc1 0.000

#12 Cc1ccc(/N=C/c2c(N)cc[cH]3->[Ru+2](<-[cH]4cc(C)ccc4C(C)C)<-[cH]23)cc1 0.000

#13 Cc1ccc(/N=C/c2ccccc2N)[cH](->[Ru+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c1 0.000

#14 Cc1ccc2/N=C/c3cc[cH]4->[Ru+2](<-[cH]2c1)<-[cH]4c3N 0.000

#15 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2c(C)ccc(/N=C/c3ccccc3N)[cH]->12 0.000

#16 Cc1ccc(/N=C/c2cc[cH](->[Ru+2]3<-[cH]4c(C)ccc(C(C)C)[cH]->34)cc2N)cc1 0.000

#17 Cc1ccc(/N=C/c2c(N)ccc[cH]2->[Ru+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)cc1 0.000

#18 Cc1ccc2/N=C/c3ccc[cH](->[Ru+2]4<-[cH]1[cH]->42)c3N 0.000

#19 Cc1ccc(/N=C/c2c(N)cc[cH]3->[Ru+2](<-[cH]4cc(C(C)C)ccc4C)<-[cH]23)cc1 0.000

#20 Cc1ccc(/N=C/c2c[cH]3->[Ru+2](<-[cH]4cc(C)ccc4C(C)C)<-[cH]3cc2N)cc1 0.000

#21 Cc1ccc2/N=C/c3c(N)ccc[cH]3->[Ru+2]3<-[cH]1[cH]->32 0.000

#22 Cc1ccc2/N=C/c3c(N)cc[cH]4->[Ru+2](<-[cH]2c1)<-[cH]34 0.000

#23 Cc1ccc(/N=C/c2c[cH](->[Ru+2]3<-[cH]4c(C)ccc(C(C)C)[cH]->34)ccc2N)cc1 0.000

#24 Cc1ccc(/N=C/c2c[cH]3->[Ru+2](<-[cH]4cc(C(C)C)ccc4C)<-[cH]3cc2N)cc1 0.000

#25 Cc1ccc2/N=C/c3cc[cH](->[Ru+2]4<-[cH]1[cH]->42)cc3N 0.000

#26 Cc1ccc2/N=C/c3c[cH]4->[Ru+2](<-[cH]2c1)<-[cH]4cc3N 0.000

#27 Cc1ccc(/N=C/c2cc[cH](->[Ru+2])cc2N)cc1 0.000

#28 Cc1ccc2/N=C/c3c[cH](->[Ru+2]4<-[cH]1[cH]->42)ccc3N 0.000

Sequential multi-lig (v2) — 243 candidates

Pred: {"N": 2}