← сравнение complex #818 3D Viewer

Complex #818 — Ru(2)

GT: {"N": 3, "P": 1} · Δ = +0.00
{"N": 3, "P": 1}
Ground Truth
0.000
Single-lig
0.000
Sequential
+0.000
Δ Sequential
Single-ligand (v1) — 81 candidates
Pred: {"P": 1}
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.994
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.994
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.994
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.994
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.994
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.994
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.994
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.994
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.994
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.313
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.313
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.313
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.313
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.313
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.313
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.313
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.313
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.313
#4 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.047
#4 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.047
#4 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.047
#4 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.047
#4 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.047
#4 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.047
#4 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.047
#4 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.047
#4 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.047
#5 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.041
#5 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.041
#5 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.041
#5 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.041
#5 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.041
#5 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.041
#5 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.041
#5 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.041
#5 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.041
#6 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.006
#6 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.006
#6 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.006
#6 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.006
#6 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.006
#6 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.006
#6 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.006
#6 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.006
#6 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.006
#7 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.005
#7 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.005
#7 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.005
#7 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.005
#7 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.005
#7 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.005
#7 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.005
#7 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.005
#7 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.005
#8 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#8 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#8 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#8 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#8 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#8 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#8 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#8 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#8 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#9 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#9 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#9 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#9 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#9 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#9 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#9 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#9 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#9 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#10 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#10 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#10 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#10 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#10 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#10 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#10 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#10 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#10 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
Sequential multi-lig (v2) — 81 candidates
Pred: {"P": 2}
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.994
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.994
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.994
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.994
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.994
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.994
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.994
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.994
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.994
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.313
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.313
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.313
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.313
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.313
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.313
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.313
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.313
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.313
#4 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.047
#4 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.047
#4 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.047
#4 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.047
#4 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.047
#4 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.047
#4 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.047
#4 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.047
#4 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.047
#5 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.041
#5 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.041
#5 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.041
#5 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.041
#5 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.041
#5 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.041
#5 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.041
#5 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.041
#5 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.041
#6 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.006
#6 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.006
#6 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.006
#6 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.006
#6 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.006
#6 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.006
#6 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.006
#6 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.006
#6 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.006
#7 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.005
#7 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.005
#7 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.005
#7 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.005
#7 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.005
#7 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.005
#7 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.005
#7 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.005
#7 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.005
#8 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#8 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#8 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#8 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#8 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#8 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#8 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#8 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#8 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#9 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#9 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#9 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#9 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#9 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#9 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#9 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#9 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#9 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#10 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#10 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#10 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#10 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#10 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#10 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#10 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#10 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#10 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000