Compare #378 — BiometalDB

{"N": 2}

Ground Truth

0.000

Single-lig

0.000

Sequential

+0.000

Δ Sequential

Single-ligand (v1) — 198 candidates

Pred: C:6(eta)

#2 C[c]12->[Ru+2]3456<-[cH]([cH]->3[cH]->41)[cH]->5[cH]->62 0.250

#3 Cc1ccc[cH]2->[Ru+2]<-[cH]12 0.079

#4 Cc1cc[cH]2->[Ru+2]<-[cH]2c1 0.054

#5 Cc1cc[cH]2->[Ru+]3<-[cH]1[cH]->32 0.051

#6 CC1=C[CH]2[Ru+2][CH]2C=C1 0.018

#7 Cc1c[cH]2->[Ru+2]34<-[cH]1[cH]->3[cH]->42 0.016

#8 CNC(=O)c1cc(N)[cH]2->[Ru+2]<-[cH]2c1 0.016

#9 CC1=CC=C[CH]2[Ru+2][CH]12 0.008

#10 CNC(=O)c1cc(N)[cH]2->[Ru+]3<-[cH]1[cH]->32 0.001

#11 CNC(=O)c1cc(N)c[cH]2->[Ru+2]<-[cH]12 0.000

#12 Cc1ccc[cH](->[Ru+2])c1 0.000

#13 CNC(=O)c1cccc(N)[cH]1->[Ru+2]1<-[cH]2cccc(C)[cH]->12 0.000

#14 CNC(=O)c1cccc(N)[cH]1->[Ru+2]1<-[cH]2ccc(C)c[cH]->12 0.000

#15 CNC(=O)c1cc(N)[cH]2->[Ru+2](<-[cH]3ccccc3C)<-[cH]2c1 0.000

#16 CNC(=O)c1cc(N)[cH]2->[Ru+2](<-[cH]3cccc(C)c3)<-[cH]2c1 0.000

#17 Cc1cccc[cH]1->[Ru+2] 0.000

#18 CNC(=O)c1cc(N)c[cH]2->[Ru+2](<-[cH]3ccccc3C)<-[cH]12 0.000

#19 CNC(=O)c1cc(N)c[cH](->[Ru+2]2<-[cH]3cccc(C)[cH]->23)c1 0.000

#20 CNC(=O)c1cc(N)c[cH]2->[Ru+2](<-[cH]3cccc(C)c3)<-[cH]12 0.000

#21 CNC(=O)c1cc(N)cc[cH]1->[Ru+2]1<-[cH]2cccc(C)[cH]->12 0.000

#22 CNC(=O)c1cc(N)cc[cH]1->[Ru+2]1<-[cH]2ccc(C)c[cH]->12 0.000

#23 CNC(=O)c1cc(N)cc[cH]1->[Ru+2] 0.000

Sequential multi-lig (v2) — 198 candidates

Pred: {"N": 2}