← сравнение complex #245 3D Viewer

Complex #245 — Ru(2)

GT: {"P": 1} · Δ = +0.00
{"P": 1}
Ground Truth
0.000
Single-lig
0.000
Sequential
+0.000
Δ Sequential
Single-ligand (v1) — 50 candidates
Pred: {"P": 1}
#2 CC[P](->[Ru+2])(CC)CC 1.000
#2 CC[P](->[Ru+2])(CC)CC 1.000
#2 CC[P](->[Ru+2])(CC)CC 1.000
#2 CC[P](->[Ru+2])(CC)CC 1.000
#2 CC[P](->[Ru+2])(CC)CC 1.000
#2 CC[P](->[Ru+2])(CC)CC 1.000
#2 CC[P](->[Ru+2])(CC)CC 1.000
#2 CC[P](->[Ru+2])(CC)CC 1.000
#2 CC[P](->[Ru+2])(CC)CC 1.000
#2 CC[P](->[Ru+2])(CC)CC 1.000
#2 CC[P](CC)(CC)->[Ru+2]12345<-[cH]6[cH]->1[c]->2(C(C)C)[cH]->3[cH]->4[c]->56C 0.540
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.432
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.432
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.432
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.432
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.432
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.432
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.432
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.432
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.432
#3 CC[P](CC)(CC)->[Ru+2]1<-[cH]2c(C)ccc(C(C)C)[cH]->12 0.180
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.117
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.117
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.117
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.117
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.117
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.117
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.117
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.117
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.117
#4 CC[P](CC)(CC)->[Ru+2]<-[cH]1cc(C)ccc1C(C)C 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
#5 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#5 CC[P](CC)(CC)->[Ru+2]<-[cH]1cc(C(C)C)ccc1C 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) — 50 candidates
Pred: {"P": 2}
#2 CC[P](->[Ru+2])(CC)CC 1.000
#2 CC[P](->[Ru+2])(CC)CC 1.000
#2 CC[P](->[Ru+2])(CC)CC 1.000
#2 CC[P](->[Ru+2])(CC)CC 1.000
#2 CC[P](->[Ru+2])(CC)CC 1.000
#2 CC[P](->[Ru+2])(CC)CC 1.000
#2 CC[P](->[Ru+2])(CC)CC 1.000
#2 CC[P](->[Ru+2])(CC)CC 1.000
#2 CC[P](->[Ru+2])(CC)CC 1.000
#2 CC[P](->[Ru+2])(CC)CC 1.000
#2 CC[P](CC)(CC)->[Ru+2]12345<-[cH]6[cH]->1[c]->2(C(C)C)[cH]->3[cH]->4[c]->56C 0.540
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.432
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.432
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.432
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.432
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.432
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.432
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.432
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.432
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.432
#3 CC[P](CC)(CC)->[Ru+2]1<-[cH]2c(C)ccc(C(C)C)[cH]->12 0.180
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.117
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.117
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.117
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.117
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.117
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.117
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.117
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.117
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.117
#4 CC[P](CC)(CC)->[Ru+2]<-[cH]1cc(C)ccc1C(C)C 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
#5 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#5 CC[P](CC)(CC)->[Ru+2]<-[cH]1cc(C(C)C)ccc1C 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