← сравнение complex #744 3D Viewer

Complex #744 — Ru(2)

GT: {"N": 1} · Δ = +0.00
{"N": 1}
Ground Truth
0.000
Single-lig
0.000
Sequential
+0.000
Δ Sequential
Single-ligand (v1) — 45 candidates
Pred: C:6(eta)
#2 CCn1cc[n+](C)[c-]1->[Ru+2] 0.848
#2 CCn1cc[n+](C)[c-]1->[Ru+2] 0.848
#2 CCn1cc[n+](C)[c-]1->[Ru+2] 0.848
#2 CCn1cc[n+](C)[c-]1->[Ru+2] 0.848
#2 CCn1cc[n+](C)[c-]1->[Ru+2] 0.848
#2 CCn1cc[n+](C)[c-]1->[Ru+2] 0.848
#2 CCn1cc[n+](C)[c-]1->[Ru+2] 0.848
#2 CCn1cc[n+](C)[c-]1->[Ru+2] 0.848
#2 CCn1cc[n+](C)[c-]1->[Ru+2] 0.848
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.425
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.425
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.425
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.425
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.425
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.425
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.425
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.425
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.425
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.096
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.096
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.096
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.096
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.096
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.096
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.096
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.096
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.096
#5 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#5 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#5 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#5 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#5 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#5 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#5 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#5 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#5 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#6 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#6 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#6 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#6 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#6 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#6 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#6 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#6 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#6 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
Sequential multi-lig (v2) — 45 candidates
Pred: C:6(eta)
#2 CCn1cc[n+](C)[c-]1->[Ru+2] 0.848
#2 CCn1cc[n+](C)[c-]1->[Ru+2] 0.848
#2 CCn1cc[n+](C)[c-]1->[Ru+2] 0.848
#2 CCn1cc[n+](C)[c-]1->[Ru+2] 0.848
#2 CCn1cc[n+](C)[c-]1->[Ru+2] 0.848
#2 CCn1cc[n+](C)[c-]1->[Ru+2] 0.848
#2 CCn1cc[n+](C)[c-]1->[Ru+2] 0.848
#2 CCn1cc[n+](C)[c-]1->[Ru+2] 0.848
#2 CCn1cc[n+](C)[c-]1->[Ru+2] 0.848
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.425
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.425
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.425
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.425
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.425
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.425
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.425
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.425
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.425
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.096
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.096
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.096
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.096
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.096
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.096
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.096
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.096
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.096
#5 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#5 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#5 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#5 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#5 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#5 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#5 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#5 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#5 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#6 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#6 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#6 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#6 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#6 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#6 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#6 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#6 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#6 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000