Compare #135 — BiometalDB

{"N": 2}

Ground Truth

0.000

Single-lig

0.000

Sequential

+0.000

Δ Sequential

Single-ligand (v1) — 236 candidates

Pred: C:6(eta)

#2 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.367

#2 CCCC[NH](->[Ru+2])CC(=O)Nc1ccccc1 0.110

#2 CCCC[NH](CC(=O)Nc1ccccc1)->[Ru+2]12345<-[cH]6[cH]->1[c]->2(C(C)C)[cH]->3[cH]->4[... 0.080

#3 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.070

#3 CCCC[NH]1CC(=O)[NH](->[Ru+]<-1)c1ccccc1 0.050

#3 CCCC[NH](CC(=O)Nc1ccccc1)->[Ru+2]1<-[cH]2c(C)ccc(C(C)C)[cH]->12 0.000

#4 CCCC[NH]1CC(=O)[NH](->[Ru+]<-1)c1ccccc1 0.055

#4 CCCC[NH]1CC(=O)[NH](->[Ru+2]<-1)c1ccccc1 0.010

#4 CCCC[NH](CC(=O)Nc1ccccc1)->[Ru+2]<-[cH]1cc(C)ccc1C(C)C 0.000

#5 CCCC[NH]1CC(=O)[NH](->[Ru+2]<-1)c1ccccc1 0.006

#5 CCCCNCC(=O)Nc1ccc[cH]2->[Ru+2]<-[cH]12 0.000

#5 CCCC[NH](CC(=O)Nc1ccccc1)->[Ru+2]<-[cH]1cc(C(C)C)ccc1C 0.000

#6 CCCCNCC(=O)Nc1ccc[cH]2->[Ru+2]<-[cH]12 0.000

#6 CCCCNCC(Nc1ccccc1)=[O]->[Ru+2] 0.000

#7 CCCCNCC(=O)Nc1cc[cH]2->[Ru+2]<-[cH]2c1 0.000

#8 CCCCNCC(=O)NC1=C[CH]2[Ru+2][CH]2C=C1 0.000

#9 CCCCNCC(=O)NC1=CC=C[CH]2[Ru+2][CH]12 0.000

#10 CCCCNCC(=O)Nc1cc[cH]2->[Ru+]3<-[cH]1[cH]->32 0.000

#11 CCCCNCC(=O)Nc1c[cH]2->[Ru+]3<-[cH](c1)[cH]->32 0.000

#12 CCCCNCC(=O)Nc1c[cH]2->[Ru+2]34<-[cH]1[cH]->3[cH]->42 0.000

#13 CCCCNCC(=O)[NH](->[Ru+2])c1ccccc1 0.000

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

#14 CCCCNCC(=O)NC1=C[CH]2[CH]3[CH]4[CH]1[Ru+2]234 0.000

#15 CCCCNCC(=O)NC1=C[CH]2[CH]3[CH]4[CH]1[Ru+2]234 0.000

#15 CCCCNCC(=O)Nc1cccc[cH]1->[Ru+2] 0.000

#16 CCCCNCC(=O)Nc1cccc[cH]1->[Ru+2]1<-[cH]2c(C)ccc(C(C)C)[cH]->12 0.000

#16 CCCCNCC(=O)Nc1ccc[cH](->[Ru+2])c1 0.000

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

#17 CCCCNCC(=O)Nc1cc[cH](->[Ru+2])cc1 0.000

#18 CCCCNCC(=O)Nc1ccc[cH]2->[Ru+2](<-[cH]3cc(C)ccc3C(C)C)<-[cH]12 0.000

#19 CCCCNCC(=O)Nc1ccc[cH](->[Ru+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c1 0.000

#20 CCCCNCC(=O)Nc1cc[cH]2->[Ru+2](<-[cH]3cc(C)ccc3C(C)C)<-[cH]2c1 0.000

#21 CCCCNCC(=O)Nc1ccc[cH]2->[Ru+2](<-[cH]3cc(C(C)C)ccc3C)<-[cH]12 0.000

#22 CCCCNCC(=O)Nc1cc[cH]2->[Ru+2](<-[cH]3cc(C(C)C)ccc3C)<-[cH]2c1 0.000

#23 CCCCNCC(=O)Nc1cccc[cH]1->[Ru+2] 0.000

#24 CCCCNCC(=O)Nc1ccc[cH](->[Ru+2])c1 0.000

#25 CCCCNCC(=O)Nc1cc[cH](->[Ru+2])cc1 0.000

Sequential multi-lig (v2) — 236 candidates

Pred: {"N": 2}