← сравнение complex #36 3D Viewer

Complex #36 — 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) — 70 candidates
Pred: {"P": 1}
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.995
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.995
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.995
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.995
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.995
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.995
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.995
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.995
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.995
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.990
#2 C[c]12->[Ru+2]3456(<-[c]1(C)[c]->3(C)[c]->4(C)[c]->5(C)[c]->62C)<-[P]12CN3CN(CN(... 0.830
#3 C[c]12->[Ru+2]3456<-[c]1(C)[c]->3(C)[c]->4(C)[c]->5(C)[c]->62C 0.800
#3 C[c]12->[Ru+2]3456<-[c]1(C)[c]->3(C)[c]->4(C)[c]->5(C)[c]->62C 0.800
#3 C[c]12->[Ru+2]3456<-[c]1(C)[c]->3(C)[c]->4(C)[c]->5(C)[c]->62C 0.800
#3 C[c]12->[Ru+2]3456<-[c]1(C)[c]->3(C)[c]->4(C)[c]->5(C)[c]->62C 0.800
#3 C[c]12->[Ru+2]3456<-[c]1(C)[c]->3(C)[c]->4(C)[c]->5(C)[c]->62C 0.800
#3 C[c]12->[Ru+2]3456<-[c]1(C)[c]->3(C)[c]->4(C)[c]->5(C)[c]->62C 0.800
#3 C[c]12->[Ru+2]3456<-[c]1(C)[c]->3(C)[c]->4(C)[c]->5(C)[c]->62C 0.800
#3 C[c]12->[Ru+2]3456<-[c]1(C)[c]->3(C)[c]->4(C)[c]->5(C)[c]->62C 0.800
#3 C[c]12->[Ru+2]3456<-[c]1(C)[c]->3(C)[c]->4(C)[c]->5(C)[c]->62C 0.800
#3 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.020
#3 Cc1c(C)[c]2(C)->[Ru+]3(<-[c](C)(c1C)[c]->32C)<-[P]12CN3CN(CN(C3)C1)C2 0.370
#4 Cc1c(C)[c]2(C)->[Ru+]3<-[c](C)(c1C)[c]->32C 0.472
#4 Cc1c(C)[c]2(C)->[Ru+]3<-[c](C)(c1C)[c]->32C 0.472
#4 Cc1c(C)[c]2(C)->[Ru+]3<-[c](C)(c1C)[c]->32C 0.472
#4 Cc1c(C)[c]2(C)->[Ru+]3<-[c](C)(c1C)[c]->32C 0.472
#4 Cc1c(C)[c]2(C)->[Ru+]3<-[c](C)(c1C)[c]->32C 0.472
#4 Cc1c(C)[c]2(C)->[Ru+]3<-[c](C)(c1C)[c]->32C 0.472
#4 Cc1c(C)[c]2(C)->[Ru+]3<-[c](C)(c1C)[c]->32C 0.472
#4 Cc1c(C)[c]2(C)->[Ru+]3<-[c](C)(c1C)[c]->32C 0.472
#4 Cc1c(C)[c]2(C)->[Ru+]3<-[c](C)(c1C)[c]->32C 0.472
#4 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.010
#5 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.057
#5 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.057
#5 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.057
#5 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.057
#5 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.057
#5 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.057
#5 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.057
#5 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.057
#5 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.057
#5 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.000
#6 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.006
#6 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.006
#6 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.006
#6 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.006
#6 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.006
#6 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.006
#6 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.006
#6 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.006
#6 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.006
#6 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#7 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.005
#7 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.005
#7 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.005
#7 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.005
#7 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.005
#7 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.005
#7 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.005
#7 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.005
#7 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 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
Sequential multi-lig (v2) — 70 candidates
Pred: {"P": 2}
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.995
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.995
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.995
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.995
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.995
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.995
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.995
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.995
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.995
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.990
#2 C[c]12->[Ru+2]3456(<-[c]1(C)[c]->3(C)[c]->4(C)[c]->5(C)[c]->62C)<-[P]12CN3CN(CN(... 0.830
#3 C[c]12->[Ru+2]3456<-[c]1(C)[c]->3(C)[c]->4(C)[c]->5(C)[c]->62C 0.800
#3 C[c]12->[Ru+2]3456<-[c]1(C)[c]->3(C)[c]->4(C)[c]->5(C)[c]->62C 0.800
#3 C[c]12->[Ru+2]3456<-[c]1(C)[c]->3(C)[c]->4(C)[c]->5(C)[c]->62C 0.800
#3 C[c]12->[Ru+2]3456<-[c]1(C)[c]->3(C)[c]->4(C)[c]->5(C)[c]->62C 0.800
#3 C[c]12->[Ru+2]3456<-[c]1(C)[c]->3(C)[c]->4(C)[c]->5(C)[c]->62C 0.800
#3 C[c]12->[Ru+2]3456<-[c]1(C)[c]->3(C)[c]->4(C)[c]->5(C)[c]->62C 0.800
#3 C[c]12->[Ru+2]3456<-[c]1(C)[c]->3(C)[c]->4(C)[c]->5(C)[c]->62C 0.800
#3 C[c]12->[Ru+2]3456<-[c]1(C)[c]->3(C)[c]->4(C)[c]->5(C)[c]->62C 0.800
#3 C[c]12->[Ru+2]3456<-[c]1(C)[c]->3(C)[c]->4(C)[c]->5(C)[c]->62C 0.800
#3 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.020
#3 Cc1c(C)[c]2(C)->[Ru+]3(<-[c](C)(c1C)[c]->32C)<-[P]12CN3CN(CN(C3)C1)C2 0.370
#4 Cc1c(C)[c]2(C)->[Ru+]3<-[c](C)(c1C)[c]->32C 0.472
#4 Cc1c(C)[c]2(C)->[Ru+]3<-[c](C)(c1C)[c]->32C 0.472
#4 Cc1c(C)[c]2(C)->[Ru+]3<-[c](C)(c1C)[c]->32C 0.472
#4 Cc1c(C)[c]2(C)->[Ru+]3<-[c](C)(c1C)[c]->32C 0.472
#4 Cc1c(C)[c]2(C)->[Ru+]3<-[c](C)(c1C)[c]->32C 0.472
#4 Cc1c(C)[c]2(C)->[Ru+]3<-[c](C)(c1C)[c]->32C 0.472
#4 Cc1c(C)[c]2(C)->[Ru+]3<-[c](C)(c1C)[c]->32C 0.472
#4 Cc1c(C)[c]2(C)->[Ru+]3<-[c](C)(c1C)[c]->32C 0.472
#4 Cc1c(C)[c]2(C)->[Ru+]3<-[c](C)(c1C)[c]->32C 0.472
#4 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.010
#5 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.057
#5 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.057
#5 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.057
#5 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.057
#5 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.057
#5 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.057
#5 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.057
#5 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.057
#5 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.057
#5 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.000
#6 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.006
#6 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.006
#6 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.006
#6 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.006
#6 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.006
#6 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.006
#6 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.006
#6 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.006
#6 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.006
#6 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#7 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.005
#7 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.005
#7 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.005
#7 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.005
#7 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.005
#7 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.005
#7 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.005
#7 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.005
#7 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 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