← сравнение complex #815 3D Viewer

Complex #815 — Ru(2)

GT: {"N": 6, "P": 2} · Δ = +0.00
{"N": 6, "P": 2}
Ground Truth
0.000
Single-lig
0.000
Sequential
+0.000
Δ Sequential
Single-ligand (v1) — 117 candidates
Pred: {"P": 1}
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.996
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.996
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.996
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.996
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.996
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.996
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.996
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.996
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.996
#3 C1N2CN3CN1C[P](->[Ru+2]<-[P]14CN5CN(CN(C5)C1)C4)(C2)C3 0.936
#3 C1N2CN3CN1C[P](->[Ru+2]<-[P]14CN5CN(CN(C5)C1)C4)(C2)C3 0.936
#3 C1N2CN3CN1C[P](->[Ru+2]<-[P]14CN5CN(CN(C5)C1)C4)(C2)C3 0.936
#3 C1N2CN3CN1C[P](->[Ru+2]<-[P]14CN5CN(CN(C5)C1)C4)(C2)C3 0.936
#3 C1N2CN3CN1C[P](->[Ru+2]<-[P]14CN5CN(CN(C5)C1)C4)(C2)C3 0.936
#3 C1N2CN3CN1C[P](->[Ru+2]<-[P]14CN5CN(CN(C5)C1)C4)(C2)C3 0.936
#3 C1N2CN3CN1C[P](->[Ru+2]<-[P]14CN5CN(CN(C5)C1)C4)(C2)C3 0.936
#3 C1N2CN3CN1C[P](->[Ru+2]<-[P]14CN5CN(CN(C5)C1)C4)(C2)C3 0.936
#3 C1N2CN3CN1C[P](->[Ru+2]<-[P]14CN5CN(CN(C5)C1)C4)(C2)C3 0.936
#4 [CH]12[CH]3[CH]4[CH]5[CH]1[Ru+]2345 0.929
#4 [CH]12[CH]3[CH]4[CH]5[CH]1[Ru+]2345 0.929
#4 [CH]12[CH]3[CH]4[CH]5[CH]1[Ru+]2345 0.929
#4 [CH]12[CH]3[CH]4[CH]5[CH]1[Ru+]2345 0.929
#4 [CH]12[CH]3[CH]4[CH]5[CH]1[Ru+]2345 0.929
#4 [CH]12[CH]3[CH]4[CH]5[CH]1[Ru+]2345 0.929
#4 [CH]12[CH]3[CH]4[CH]5[CH]1[Ru+]2345 0.929
#4 [CH]12[CH]3[CH]4[CH]5[CH]1[Ru+]2345 0.929
#4 [CH]12[CH]3[CH]4[CH]5[CH]1[Ru+]2345 0.929
#5 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.048
#5 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.048
#5 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.048
#5 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.048
#5 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.048
#5 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.048
#5 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.048
#5 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.048
#5 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.048
#6 c1[cH-][cH]2->[Ru+]3<-[cH]1[cH]->32 0.004
#6 c1[cH-][cH]2->[Ru+]3<-[cH]1[cH]->32 0.004
#6 c1[cH-][cH]2->[Ru+]3<-[cH]1[cH]->32 0.004
#6 c1[cH-][cH]2->[Ru+]3<-[cH]1[cH]->32 0.004
#6 c1[cH-][cH]2->[Ru+]3<-[cH]1[cH]->32 0.004
#6 c1[cH-][cH]2->[Ru+]3<-[cH]1[cH]->32 0.004
#6 c1[cH-][cH]2->[Ru+]3<-[cH]1[cH]->32 0.004
#6 c1[cH-][cH]2->[Ru+]3<-[cH]1[cH]->32 0.004
#6 c1[cH-][cH]2->[Ru+]3<-[cH]1[cH]->32 0.004
#7 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.004
#7 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.004
#7 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.004
#7 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.004
#7 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.004
#7 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.004
#7 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.004
#7 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.004
#7 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.004
#8 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.002
#8 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.002
#8 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.002
#8 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.002
#8 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.002
#8 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.002
#8 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.002
#8 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.002
#8 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.002
#9 c1c[cH]2->[Ru+2]<-[cH]2[cH-]1 0.001
#9 c1c[cH]2->[Ru+2]<-[cH]2[cH-]1 0.001
#9 c1c[cH]2->[Ru+2]<-[cH]2[cH-]1 0.001
#9 c1c[cH]2->[Ru+2]<-[cH]2[cH-]1 0.001
#9 c1c[cH]2->[Ru+2]<-[cH]2[cH-]1 0.001
#9 c1c[cH]2->[Ru+2]<-[cH]2[cH-]1 0.001
#9 c1c[cH]2->[Ru+2]<-[cH]2[cH-]1 0.001
#9 c1c[cH]2->[Ru+2]<-[cH]2[cH-]1 0.001
#9 c1c[cH]2->[Ru+2]<-[cH]2[cH-]1 0.001
#10 c1[cH-]c[cH]2->[Ru+2]<-[cH]12 0.001
#10 c1[cH-]c[cH]2->[Ru+2]<-[cH]12 0.001
#10 c1[cH-]c[cH]2->[Ru+2]<-[cH]12 0.001
#10 c1[cH-]c[cH]2->[Ru+2]<-[cH]12 0.001
#10 c1[cH-]c[cH]2->[Ru+2]<-[cH]12 0.001
#10 c1[cH-]c[cH]2->[Ru+2]<-[cH]12 0.001
#10 c1[cH-]c[cH]2->[Ru+2]<-[cH]12 0.001
#10 c1[cH-]c[cH]2->[Ru+2]<-[cH]12 0.001
#10 c1[cH-]c[cH]2->[Ru+2]<-[cH]12 0.001
#11 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#11 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#11 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#11 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#11 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#11 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#11 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#11 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#11 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#12 C1N2CP3CN1C[N](->[Ru+2]<-[N]14CN5CN(CP(C5)C1)C4)(C2)C3 0.000
#12 C1N2CP3CN1C[N](->[Ru+2]<-[N]14CN5CN(CP(C5)C1)C4)(C2)C3 0.000
#12 C1N2CP3CN1C[N](->[Ru+2]<-[N]14CN5CN(CP(C5)C1)C4)(C2)C3 0.000
#12 C1N2CP3CN1C[N](->[Ru+2]<-[N]14CN5CN(CP(C5)C1)C4)(C2)C3 0.000
#12 C1N2CP3CN1C[N](->[Ru+2]<-[N]14CN5CN(CP(C5)C1)C4)(C2)C3 0.000
#12 C1N2CP3CN1C[N](->[Ru+2]<-[N]14CN5CN(CP(C5)C1)C4)(C2)C3 0.000
#12 C1N2CP3CN1C[N](->[Ru+2]<-[N]14CN5CN(CP(C5)C1)C4)(C2)C3 0.000
#12 C1N2CP3CN1C[N](->[Ru+2]<-[N]14CN5CN(CP(C5)C1)C4)(C2)C3 0.000
#12 C1N2CP3CN1C[N](->[Ru+2]<-[N]14CN5CN(CP(C5)C1)C4)(C2)C3 0.000
#13 [Ru+2]<-[cH]1cc[cH-]c1 0.000
#13 [Ru+2]<-[cH]1cc[cH-]c1 0.000
#13 [Ru+2]<-[cH]1cc[cH-]c1 0.000
#13 [Ru+2]<-[cH]1cc[cH-]c1 0.000
#13 [Ru+2]<-[cH]1cc[cH-]c1 0.000
#13 [Ru+2]<-[cH]1cc[cH-]c1 0.000
#13 [Ru+2]<-[cH]1cc[cH-]c1 0.000
#13 [Ru+2]<-[cH]1cc[cH-]c1 0.000
#13 [Ru+2]<-[cH]1cc[cH-]c1 0.000
#14 [Ru+2]<-[cH]1ccc[cH-]1 0.000
#14 [Ru+2]<-[cH]1ccc[cH-]1 0.000
#14 [Ru+2]<-[cH]1ccc[cH-]1 0.000
#14 [Ru+2]<-[cH]1ccc[cH-]1 0.000
#14 [Ru+2]<-[cH]1ccc[cH-]1 0.000
#14 [Ru+2]<-[cH]1ccc[cH-]1 0.000
#14 [Ru+2]<-[cH]1ccc[cH-]1 0.000
#14 [Ru+2]<-[cH]1ccc[cH-]1 0.000
#14 [Ru+2]<-[cH]1ccc[cH-]1 0.000
Sequential multi-lig (v2) — 117 candidates
Pred: {"P": 5}
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.996
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.996
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.996
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.996
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.996
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.996
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.996
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.996
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.996
#3 C1N2CN3CN1C[P](->[Ru+2]<-[P]14CN5CN(CN(C5)C1)C4)(C2)C3 0.936
#3 C1N2CN3CN1C[P](->[Ru+2]<-[P]14CN5CN(CN(C5)C1)C4)(C2)C3 0.936
#3 C1N2CN3CN1C[P](->[Ru+2]<-[P]14CN5CN(CN(C5)C1)C4)(C2)C3 0.936
#3 C1N2CN3CN1C[P](->[Ru+2]<-[P]14CN5CN(CN(C5)C1)C4)(C2)C3 0.936
#3 C1N2CN3CN1C[P](->[Ru+2]<-[P]14CN5CN(CN(C5)C1)C4)(C2)C3 0.936
#3 C1N2CN3CN1C[P](->[Ru+2]<-[P]14CN5CN(CN(C5)C1)C4)(C2)C3 0.936
#3 C1N2CN3CN1C[P](->[Ru+2]<-[P]14CN5CN(CN(C5)C1)C4)(C2)C3 0.936
#3 C1N2CN3CN1C[P](->[Ru+2]<-[P]14CN5CN(CN(C5)C1)C4)(C2)C3 0.936
#3 C1N2CN3CN1C[P](->[Ru+2]<-[P]14CN5CN(CN(C5)C1)C4)(C2)C3 0.936
#4 [CH]12[CH]3[CH]4[CH]5[CH]1[Ru+]2345 0.929
#4 [CH]12[CH]3[CH]4[CH]5[CH]1[Ru+]2345 0.929
#4 [CH]12[CH]3[CH]4[CH]5[CH]1[Ru+]2345 0.929
#4 [CH]12[CH]3[CH]4[CH]5[CH]1[Ru+]2345 0.929
#4 [CH]12[CH]3[CH]4[CH]5[CH]1[Ru+]2345 0.929
#4 [CH]12[CH]3[CH]4[CH]5[CH]1[Ru+]2345 0.929
#4 [CH]12[CH]3[CH]4[CH]5[CH]1[Ru+]2345 0.929
#4 [CH]12[CH]3[CH]4[CH]5[CH]1[Ru+]2345 0.929
#4 [CH]12[CH]3[CH]4[CH]5[CH]1[Ru+]2345 0.929
#5 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.048
#5 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.048
#5 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.048
#5 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.048
#5 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.048
#5 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.048
#5 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.048
#5 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.048
#5 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.048
#6 c1[cH-][cH]2->[Ru+]3<-[cH]1[cH]->32 0.004
#6 c1[cH-][cH]2->[Ru+]3<-[cH]1[cH]->32 0.004
#6 c1[cH-][cH]2->[Ru+]3<-[cH]1[cH]->32 0.004
#6 c1[cH-][cH]2->[Ru+]3<-[cH]1[cH]->32 0.004
#6 c1[cH-][cH]2->[Ru+]3<-[cH]1[cH]->32 0.004
#6 c1[cH-][cH]2->[Ru+]3<-[cH]1[cH]->32 0.004
#6 c1[cH-][cH]2->[Ru+]3<-[cH]1[cH]->32 0.004
#6 c1[cH-][cH]2->[Ru+]3<-[cH]1[cH]->32 0.004
#6 c1[cH-][cH]2->[Ru+]3<-[cH]1[cH]->32 0.004
#7 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.004
#7 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.004
#7 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.004
#7 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.004
#7 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.004
#7 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.004
#7 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.004
#7 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.004
#7 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.004
#8 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.002
#8 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.002
#8 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.002
#8 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.002
#8 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.002
#8 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.002
#8 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.002
#8 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.002
#8 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.002
#9 c1c[cH]2->[Ru+2]<-[cH]2[cH-]1 0.001
#9 c1c[cH]2->[Ru+2]<-[cH]2[cH-]1 0.001
#9 c1c[cH]2->[Ru+2]<-[cH]2[cH-]1 0.001
#9 c1c[cH]2->[Ru+2]<-[cH]2[cH-]1 0.001
#9 c1c[cH]2->[Ru+2]<-[cH]2[cH-]1 0.001
#9 c1c[cH]2->[Ru+2]<-[cH]2[cH-]1 0.001
#9 c1c[cH]2->[Ru+2]<-[cH]2[cH-]1 0.001
#9 c1c[cH]2->[Ru+2]<-[cH]2[cH-]1 0.001
#9 c1c[cH]2->[Ru+2]<-[cH]2[cH-]1 0.001
#10 c1[cH-]c[cH]2->[Ru+2]<-[cH]12 0.001
#10 c1[cH-]c[cH]2->[Ru+2]<-[cH]12 0.001
#10 c1[cH-]c[cH]2->[Ru+2]<-[cH]12 0.001
#10 c1[cH-]c[cH]2->[Ru+2]<-[cH]12 0.001
#10 c1[cH-]c[cH]2->[Ru+2]<-[cH]12 0.001
#10 c1[cH-]c[cH]2->[Ru+2]<-[cH]12 0.001
#10 c1[cH-]c[cH]2->[Ru+2]<-[cH]12 0.001
#10 c1[cH-]c[cH]2->[Ru+2]<-[cH]12 0.001
#10 c1[cH-]c[cH]2->[Ru+2]<-[cH]12 0.001
#11 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#11 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#11 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#11 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#11 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#11 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#11 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#11 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#11 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#12 C1N2CP3CN1C[N](->[Ru+2]<-[N]14CN5CN(CP(C5)C1)C4)(C2)C3 0.000
#12 C1N2CP3CN1C[N](->[Ru+2]<-[N]14CN5CN(CP(C5)C1)C4)(C2)C3 0.000
#12 C1N2CP3CN1C[N](->[Ru+2]<-[N]14CN5CN(CP(C5)C1)C4)(C2)C3 0.000
#12 C1N2CP3CN1C[N](->[Ru+2]<-[N]14CN5CN(CP(C5)C1)C4)(C2)C3 0.000
#12 C1N2CP3CN1C[N](->[Ru+2]<-[N]14CN5CN(CP(C5)C1)C4)(C2)C3 0.000
#12 C1N2CP3CN1C[N](->[Ru+2]<-[N]14CN5CN(CP(C5)C1)C4)(C2)C3 0.000
#12 C1N2CP3CN1C[N](->[Ru+2]<-[N]14CN5CN(CP(C5)C1)C4)(C2)C3 0.000
#12 C1N2CP3CN1C[N](->[Ru+2]<-[N]14CN5CN(CP(C5)C1)C4)(C2)C3 0.000
#12 C1N2CP3CN1C[N](->[Ru+2]<-[N]14CN5CN(CP(C5)C1)C4)(C2)C3 0.000
#13 [Ru+2]<-[cH]1cc[cH-]c1 0.000
#13 [Ru+2]<-[cH]1cc[cH-]c1 0.000
#13 [Ru+2]<-[cH]1cc[cH-]c1 0.000
#13 [Ru+2]<-[cH]1cc[cH-]c1 0.000
#13 [Ru+2]<-[cH]1cc[cH-]c1 0.000
#13 [Ru+2]<-[cH]1cc[cH-]c1 0.000
#13 [Ru+2]<-[cH]1cc[cH-]c1 0.000
#13 [Ru+2]<-[cH]1cc[cH-]c1 0.000
#13 [Ru+2]<-[cH]1cc[cH-]c1 0.000
#14 [Ru+2]<-[cH]1ccc[cH-]1 0.000
#14 [Ru+2]<-[cH]1ccc[cH-]1 0.000
#14 [Ru+2]<-[cH]1ccc[cH-]1 0.000
#14 [Ru+2]<-[cH]1ccc[cH-]1 0.000
#14 [Ru+2]<-[cH]1ccc[cH-]1 0.000
#14 [Ru+2]<-[cH]1ccc[cH-]1 0.000
#14 [Ru+2]<-[cH]1ccc[cH-]1 0.000
#14 [Ru+2]<-[cH]1ccc[cH-]1 0.000
#14 [Ru+2]<-[cH]1ccc[cH-]1 0.000