← сравнение complex #599 3D Viewer

Complex #599 — Ru(2)

GT: {"N": 3} · Δ = -0.50
{"N": 3}
Ground Truth
0.500
Single-lig
0.000
Sequential
-0.500
Δ Sequential
Single-ligand (v1) — 36 candidates
Pred: S:1,N:1
#1 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.000
#1 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.000
#1 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.000
#1 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.000
#1 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.000
#1 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.000
#1 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.000
#1 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.000
#1 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.000
#2 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.000
#2 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.000
#2 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.000
#2 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.000
#2 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.000
#2 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.000
#2 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.000
#2 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.000
#2 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.000
#3 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#3 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#3 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#3 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#3 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#3 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#3 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#3 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#3 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#4 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#4 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#4 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#4 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#4 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#4 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#4 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#4 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#4 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
Sequential multi-lig (v2) — 36 candidates
Pred: {"S": 1, "N": 1}
#1 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.000
#1 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.000
#1 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.000
#1 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.000
#1 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.000
#1 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.000
#1 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.000
#1 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.000
#1 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.000
#2 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.000
#2 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.000
#2 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.000
#2 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.000
#2 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.000
#2 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.000
#2 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.000
#2 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.000
#2 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.000
#3 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#3 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#3 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#3 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#3 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#3 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#3 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#3 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#3 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#4 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#4 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#4 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#4 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#4 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#4 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#4 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#4 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#4 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000