← сравнение complex #27 3D Viewer

Complex #27 — 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) — 100 candidates
Pred: {"P": 1}
#2 CN1CN2CN(C1)C[P](C)(->[Ru+2])C2 0.941
#2 CN1CN2CN(C1)C[P](C)(->[Ru+2])C2 0.941
#2 CN1CN2CN(C1)C[P](C)(->[Ru+2])C2 0.941
#2 CN1CN2CN(C1)C[P](C)(->[Ru+2])C2 0.941
#2 CN1CN2CN(C1)C[P](C)(->[Ru+2])C2 0.941
#2 CN1CN2CN(C1)C[P](C)(->[Ru+2])C2 0.941
#2 CN1CN2CN(C1)C[P](C)(->[Ru+2])C2 0.941
#2 CN1CN2CN(C1)C[P](C)(->[Ru+2])C2 0.941
#2 CN1CN2CN(C1)C[P](C)(->[Ru+2])C2 0.941
#2 CN1CN2CN(C1)C[P](C)(->[Ru+2])C2 0.970
#2 CN1CN2CN(C1)C[P](C)(->[Ru+2]13456<-[c]7(C)[c]->1(C)[c]->3(C)[c]->4(C)[c]->5(C)[c... 0.710
#3 C[c]12->[Ru+2]3456<-[c]1(C)[c]->3(C)[c]->4(C)[c]->5(C)[c]->62C 0.763
#3 C[c]12->[Ru+2]3456<-[c]1(C)[c]->3(C)[c]->4(C)[c]->5(C)[c]->62C 0.763
#3 C[c]12->[Ru+2]3456<-[c]1(C)[c]->3(C)[c]->4(C)[c]->5(C)[c]->62C 0.763
#3 C[c]12->[Ru+2]3456<-[c]1(C)[c]->3(C)[c]->4(C)[c]->5(C)[c]->62C 0.763
#3 C[c]12->[Ru+2]3456<-[c]1(C)[c]->3(C)[c]->4(C)[c]->5(C)[c]->62C 0.763
#3 C[c]12->[Ru+2]3456<-[c]1(C)[c]->3(C)[c]->4(C)[c]->5(C)[c]->62C 0.763
#3 C[c]12->[Ru+2]3456<-[c]1(C)[c]->3(C)[c]->4(C)[c]->5(C)[c]->62C 0.763
#3 C[c]12->[Ru+2]3456<-[c]1(C)[c]->3(C)[c]->4(C)[c]->5(C)[c]->62C 0.763
#3 C[c]12->[Ru+2]3456<-[c]1(C)[c]->3(C)[c]->4(C)[c]->5(C)[c]->62C 0.763
#3 C[N]12->[Ru+2]<-[P]3(C)CN(CN(C1)C3)C2 0.210
#3 Cc1c(C)[c]2(C)->[Ru+]3(<-[c](C)(c1C)[c]->32C)<-[P]1(C)CN2CN(C)CN(C2)C1 0.250
#4 Cc1c(C)[c]2(C)->[Ru+]3<-[c](C)(c1C)[c]->32C 0.401
#4 Cc1c(C)[c]2(C)->[Ru+]3<-[c](C)(c1C)[c]->32C 0.401
#4 Cc1c(C)[c]2(C)->[Ru+]3<-[c](C)(c1C)[c]->32C 0.401
#4 Cc1c(C)[c]2(C)->[Ru+]3<-[c](C)(c1C)[c]->32C 0.401
#4 Cc1c(C)[c]2(C)->[Ru+]3<-[c](C)(c1C)[c]->32C 0.401
#4 Cc1c(C)[c]2(C)->[Ru+]3<-[c](C)(c1C)[c]->32C 0.401
#4 Cc1c(C)[c]2(C)->[Ru+]3<-[c](C)(c1C)[c]->32C 0.401
#4 Cc1c(C)[c]2(C)->[Ru+]3<-[c](C)(c1C)[c]->32C 0.401
#4 Cc1c(C)[c]2(C)->[Ru+]3<-[c](C)(c1C)[c]->32C 0.401
#4 CN1CN2C[N]3(->[Ru+2]<-[P](C)(C2)C3)C1 0.030
#5 C[N]12->[Ru+2]<-[P]3(C)CN(CN(C1)C3)C2 0.283
#5 C[N]12->[Ru+2]<-[P]3(C)CN(CN(C1)C3)C2 0.283
#5 C[N]12->[Ru+2]<-[P]3(C)CN(CN(C1)C3)C2 0.283
#5 C[N]12->[Ru+2]<-[P]3(C)CN(CN(C1)C3)C2 0.283
#5 C[N]12->[Ru+2]<-[P]3(C)CN(CN(C1)C3)C2 0.283
#5 C[N]12->[Ru+2]<-[P]3(C)CN(CN(C1)C3)C2 0.283
#5 C[N]12->[Ru+2]<-[P]3(C)CN(CN(C1)C3)C2 0.283
#5 C[N]12->[Ru+2]<-[P]3(C)CN(CN(C1)C3)C2 0.283
#5 C[N]12->[Ru+2]<-[P]3(C)CN(CN(C1)C3)C2 0.283
#5 CP1C[N]23->[Ru+2]4<-[N](C)(C2)C[N]->4(C1)C3 0.010
#6 CN1CN2C[N]3(->[Ru+2]<-[P](C)(C2)C3)C1 0.031
#6 CN1CN2C[N]3(->[Ru+2]<-[P](C)(C2)C3)C1 0.031
#6 CN1CN2C[N]3(->[Ru+2]<-[P](C)(C2)C3)C1 0.031
#6 CN1CN2C[N]3(->[Ru+2]<-[P](C)(C2)C3)C1 0.031
#6 CN1CN2C[N]3(->[Ru+2]<-[P](C)(C2)C3)C1 0.031
#6 CN1CN2C[N]3(->[Ru+2]<-[P](C)(C2)C3)C1 0.031
#6 CN1CN2C[N]3(->[Ru+2]<-[P](C)(C2)C3)C1 0.031
#6 CN1CN2C[N]3(->[Ru+2]<-[P](C)(C2)C3)C1 0.031
#6 CN1CN2C[N]3(->[Ru+2]<-[P](C)(C2)C3)C1 0.031
#6 CN1CN2CP(C)C[N](->[Ru+2])(C1)C2 0.000
#7 CP1C[N]23->[Ru+2]4<-[N](C)(C2)C[N]->4(C1)C3 0.007
#7 CP1C[N]23->[Ru+2]4<-[N](C)(C2)C[N]->4(C1)C3 0.007
#7 CP1C[N]23->[Ru+2]4<-[N](C)(C2)C[N]->4(C1)C3 0.007
#7 CP1C[N]23->[Ru+2]4<-[N](C)(C2)C[N]->4(C1)C3 0.007
#7 CP1C[N]23->[Ru+2]4<-[N](C)(C2)C[N]->4(C1)C3 0.007
#7 CP1C[N]23->[Ru+2]4<-[N](C)(C2)C[N]->4(C1)C3 0.007
#7 CP1C[N]23->[Ru+2]4<-[N](C)(C2)C[N]->4(C1)C3 0.007
#7 CP1C[N]23->[Ru+2]4<-[N](C)(C2)C[N]->4(C1)C3 0.007
#7 CP1C[N]23->[Ru+2]4<-[N](C)(C2)C[N]->4(C1)C3 0.007
#7 CP1CN2CN(C1)C[N](C)(->[Ru+2])C2 0.000
#8 CN1CN2CP(C)C[N](->[Ru+2])(C1)C2 0.002
#8 CN1CN2CP(C)C[N](->[Ru+2])(C1)C2 0.002
#8 CN1CN2CP(C)C[N](->[Ru+2])(C1)C2 0.002
#8 CN1CN2CP(C)C[N](->[Ru+2])(C1)C2 0.002
#8 CN1CN2CP(C)C[N](->[Ru+2])(C1)C2 0.002
#8 CN1CN2CP(C)C[N](->[Ru+2])(C1)C2 0.002
#8 CN1CN2CP(C)C[N](->[Ru+2])(C1)C2 0.002
#8 CN1CN2CP(C)C[N](->[Ru+2])(C1)C2 0.002
#8 CN1CN2CP(C)C[N](->[Ru+2])(C1)C2 0.002
#8 CP1CN2C[N]3(C)->[Ru+2]<-[N](C2)(C1)C3 0.000
#9 CP1CN2CN(C1)C[N](C)(->[Ru+2])C2 0.002
#9 CP1CN2CN(C1)C[N](C)(->[Ru+2])C2 0.002
#9 CP1CN2CN(C1)C[N](C)(->[Ru+2])C2 0.002
#9 CP1CN2CN(C1)C[N](C)(->[Ru+2])C2 0.002
#9 CP1CN2CN(C1)C[N](C)(->[Ru+2])C2 0.002
#9 CP1CN2CN(C1)C[N](C)(->[Ru+2])C2 0.002
#9 CP1CN2CN(C1)C[N](C)(->[Ru+2])C2 0.002
#9 CP1CN2CN(C1)C[N](C)(->[Ru+2])C2 0.002
#9 CP1CN2CN(C1)C[N](C)(->[Ru+2])C2 0.002
#9 CN1C[N]23->[Ru+2]<-[N](C1)(CP(C)C2)C3 0.000
#10 CP1CN2C[N]3(C)->[Ru+2]<-[N](C2)(C1)C3 0.000
#10 CP1CN2C[N]3(C)->[Ru+2]<-[N](C2)(C1)C3 0.000
#10 CP1CN2C[N]3(C)->[Ru+2]<-[N](C2)(C1)C3 0.000
#10 CP1CN2C[N]3(C)->[Ru+2]<-[N](C2)(C1)C3 0.000
#10 CP1CN2C[N]3(C)->[Ru+2]<-[N](C2)(C1)C3 0.000
#10 CP1CN2C[N]3(C)->[Ru+2]<-[N](C2)(C1)C3 0.000
#10 CP1CN2C[N]3(C)->[Ru+2]<-[N](C2)(C1)C3 0.000
#10 CP1CN2C[N]3(C)->[Ru+2]<-[N](C2)(C1)C3 0.000
#10 CP1CN2C[N]3(C)->[Ru+2]<-[N](C2)(C1)C3 0.000
#11 CN1C[N]23->[Ru+2]<-[N](C1)(CP(C)C2)C3 0.000
#11 CN1C[N]23->[Ru+2]<-[N](C1)(CP(C)C2)C3 0.000
#11 CN1C[N]23->[Ru+2]<-[N](C1)(CP(C)C2)C3 0.000
#11 CN1C[N]23->[Ru+2]<-[N](C1)(CP(C)C2)C3 0.000
#11 CN1C[N]23->[Ru+2]<-[N](C1)(CP(C)C2)C3 0.000
#11 CN1C[N]23->[Ru+2]<-[N](C1)(CP(C)C2)C3 0.000
#11 CN1C[N]23->[Ru+2]<-[N](C1)(CP(C)C2)C3 0.000
#11 CN1C[N]23->[Ru+2]<-[N](C1)(CP(C)C2)C3 0.000
#11 CN1C[N]23->[Ru+2]<-[N](C1)(CP(C)C2)C3 0.000
Sequential multi-lig (v2) — 100 candidates
Pred: {"P": 2}
#2 CN1CN2CN(C1)C[P](C)(->[Ru+2])C2 0.941
#2 CN1CN2CN(C1)C[P](C)(->[Ru+2])C2 0.941
#2 CN1CN2CN(C1)C[P](C)(->[Ru+2])C2 0.941
#2 CN1CN2CN(C1)C[P](C)(->[Ru+2])C2 0.941
#2 CN1CN2CN(C1)C[P](C)(->[Ru+2])C2 0.941
#2 CN1CN2CN(C1)C[P](C)(->[Ru+2])C2 0.941
#2 CN1CN2CN(C1)C[P](C)(->[Ru+2])C2 0.941
#2 CN1CN2CN(C1)C[P](C)(->[Ru+2])C2 0.941
#2 CN1CN2CN(C1)C[P](C)(->[Ru+2])C2 0.941
#2 CN1CN2CN(C1)C[P](C)(->[Ru+2])C2 0.970
#2 CN1CN2CN(C1)C[P](C)(->[Ru+2]13456<-[c]7(C)[c]->1(C)[c]->3(C)[c]->4(C)[c]->5(C)[c... 0.710
#3 C[c]12->[Ru+2]3456<-[c]1(C)[c]->3(C)[c]->4(C)[c]->5(C)[c]->62C 0.763
#3 C[c]12->[Ru+2]3456<-[c]1(C)[c]->3(C)[c]->4(C)[c]->5(C)[c]->62C 0.763
#3 C[c]12->[Ru+2]3456<-[c]1(C)[c]->3(C)[c]->4(C)[c]->5(C)[c]->62C 0.763
#3 C[c]12->[Ru+2]3456<-[c]1(C)[c]->3(C)[c]->4(C)[c]->5(C)[c]->62C 0.763
#3 C[c]12->[Ru+2]3456<-[c]1(C)[c]->3(C)[c]->4(C)[c]->5(C)[c]->62C 0.763
#3 C[c]12->[Ru+2]3456<-[c]1(C)[c]->3(C)[c]->4(C)[c]->5(C)[c]->62C 0.763
#3 C[c]12->[Ru+2]3456<-[c]1(C)[c]->3(C)[c]->4(C)[c]->5(C)[c]->62C 0.763
#3 C[c]12->[Ru+2]3456<-[c]1(C)[c]->3(C)[c]->4(C)[c]->5(C)[c]->62C 0.763
#3 C[c]12->[Ru+2]3456<-[c]1(C)[c]->3(C)[c]->4(C)[c]->5(C)[c]->62C 0.763
#3 C[N]12->[Ru+2]<-[P]3(C)CN(CN(C1)C3)C2 0.210
#3 Cc1c(C)[c]2(C)->[Ru+]3(<-[c](C)(c1C)[c]->32C)<-[P]1(C)CN2CN(C)CN(C2)C1 0.250
#4 Cc1c(C)[c]2(C)->[Ru+]3<-[c](C)(c1C)[c]->32C 0.401
#4 Cc1c(C)[c]2(C)->[Ru+]3<-[c](C)(c1C)[c]->32C 0.401
#4 Cc1c(C)[c]2(C)->[Ru+]3<-[c](C)(c1C)[c]->32C 0.401
#4 Cc1c(C)[c]2(C)->[Ru+]3<-[c](C)(c1C)[c]->32C 0.401
#4 Cc1c(C)[c]2(C)->[Ru+]3<-[c](C)(c1C)[c]->32C 0.401
#4 Cc1c(C)[c]2(C)->[Ru+]3<-[c](C)(c1C)[c]->32C 0.401
#4 Cc1c(C)[c]2(C)->[Ru+]3<-[c](C)(c1C)[c]->32C 0.401
#4 Cc1c(C)[c]2(C)->[Ru+]3<-[c](C)(c1C)[c]->32C 0.401
#4 Cc1c(C)[c]2(C)->[Ru+]3<-[c](C)(c1C)[c]->32C 0.401
#4 CN1CN2C[N]3(->[Ru+2]<-[P](C)(C2)C3)C1 0.030
#5 C[N]12->[Ru+2]<-[P]3(C)CN(CN(C1)C3)C2 0.283
#5 C[N]12->[Ru+2]<-[P]3(C)CN(CN(C1)C3)C2 0.283
#5 C[N]12->[Ru+2]<-[P]3(C)CN(CN(C1)C3)C2 0.283
#5 C[N]12->[Ru+2]<-[P]3(C)CN(CN(C1)C3)C2 0.283
#5 C[N]12->[Ru+2]<-[P]3(C)CN(CN(C1)C3)C2 0.283
#5 C[N]12->[Ru+2]<-[P]3(C)CN(CN(C1)C3)C2 0.283
#5 C[N]12->[Ru+2]<-[P]3(C)CN(CN(C1)C3)C2 0.283
#5 C[N]12->[Ru+2]<-[P]3(C)CN(CN(C1)C3)C2 0.283
#5 C[N]12->[Ru+2]<-[P]3(C)CN(CN(C1)C3)C2 0.283
#5 CP1C[N]23->[Ru+2]4<-[N](C)(C2)C[N]->4(C1)C3 0.010
#6 CN1CN2C[N]3(->[Ru+2]<-[P](C)(C2)C3)C1 0.031
#6 CN1CN2C[N]3(->[Ru+2]<-[P](C)(C2)C3)C1 0.031
#6 CN1CN2C[N]3(->[Ru+2]<-[P](C)(C2)C3)C1 0.031
#6 CN1CN2C[N]3(->[Ru+2]<-[P](C)(C2)C3)C1 0.031
#6 CN1CN2C[N]3(->[Ru+2]<-[P](C)(C2)C3)C1 0.031
#6 CN1CN2C[N]3(->[Ru+2]<-[P](C)(C2)C3)C1 0.031
#6 CN1CN2C[N]3(->[Ru+2]<-[P](C)(C2)C3)C1 0.031
#6 CN1CN2C[N]3(->[Ru+2]<-[P](C)(C2)C3)C1 0.031
#6 CN1CN2C[N]3(->[Ru+2]<-[P](C)(C2)C3)C1 0.031
#6 CN1CN2CP(C)C[N](->[Ru+2])(C1)C2 0.000
#7 CP1C[N]23->[Ru+2]4<-[N](C)(C2)C[N]->4(C1)C3 0.007
#7 CP1C[N]23->[Ru+2]4<-[N](C)(C2)C[N]->4(C1)C3 0.007
#7 CP1C[N]23->[Ru+2]4<-[N](C)(C2)C[N]->4(C1)C3 0.007
#7 CP1C[N]23->[Ru+2]4<-[N](C)(C2)C[N]->4(C1)C3 0.007
#7 CP1C[N]23->[Ru+2]4<-[N](C)(C2)C[N]->4(C1)C3 0.007
#7 CP1C[N]23->[Ru+2]4<-[N](C)(C2)C[N]->4(C1)C3 0.007
#7 CP1C[N]23->[Ru+2]4<-[N](C)(C2)C[N]->4(C1)C3 0.007
#7 CP1C[N]23->[Ru+2]4<-[N](C)(C2)C[N]->4(C1)C3 0.007
#7 CP1C[N]23->[Ru+2]4<-[N](C)(C2)C[N]->4(C1)C3 0.007
#7 CP1CN2CN(C1)C[N](C)(->[Ru+2])C2 0.000
#8 CN1CN2CP(C)C[N](->[Ru+2])(C1)C2 0.002
#8 CN1CN2CP(C)C[N](->[Ru+2])(C1)C2 0.002
#8 CN1CN2CP(C)C[N](->[Ru+2])(C1)C2 0.002
#8 CN1CN2CP(C)C[N](->[Ru+2])(C1)C2 0.002
#8 CN1CN2CP(C)C[N](->[Ru+2])(C1)C2 0.002
#8 CN1CN2CP(C)C[N](->[Ru+2])(C1)C2 0.002
#8 CN1CN2CP(C)C[N](->[Ru+2])(C1)C2 0.002
#8 CN1CN2CP(C)C[N](->[Ru+2])(C1)C2 0.002
#8 CN1CN2CP(C)C[N](->[Ru+2])(C1)C2 0.002
#8 CP1CN2C[N]3(C)->[Ru+2]<-[N](C2)(C1)C3 0.000
#9 CP1CN2CN(C1)C[N](C)(->[Ru+2])C2 0.002
#9 CP1CN2CN(C1)C[N](C)(->[Ru+2])C2 0.002
#9 CP1CN2CN(C1)C[N](C)(->[Ru+2])C2 0.002
#9 CP1CN2CN(C1)C[N](C)(->[Ru+2])C2 0.002
#9 CP1CN2CN(C1)C[N](C)(->[Ru+2])C2 0.002
#9 CP1CN2CN(C1)C[N](C)(->[Ru+2])C2 0.002
#9 CP1CN2CN(C1)C[N](C)(->[Ru+2])C2 0.002
#9 CP1CN2CN(C1)C[N](C)(->[Ru+2])C2 0.002
#9 CP1CN2CN(C1)C[N](C)(->[Ru+2])C2 0.002
#9 CN1C[N]23->[Ru+2]<-[N](C1)(CP(C)C2)C3 0.000
#10 CP1CN2C[N]3(C)->[Ru+2]<-[N](C2)(C1)C3 0.000
#10 CP1CN2C[N]3(C)->[Ru+2]<-[N](C2)(C1)C3 0.000
#10 CP1CN2C[N]3(C)->[Ru+2]<-[N](C2)(C1)C3 0.000
#10 CP1CN2C[N]3(C)->[Ru+2]<-[N](C2)(C1)C3 0.000
#10 CP1CN2C[N]3(C)->[Ru+2]<-[N](C2)(C1)C3 0.000
#10 CP1CN2C[N]3(C)->[Ru+2]<-[N](C2)(C1)C3 0.000
#10 CP1CN2C[N]3(C)->[Ru+2]<-[N](C2)(C1)C3 0.000
#10 CP1CN2C[N]3(C)->[Ru+2]<-[N](C2)(C1)C3 0.000
#10 CP1CN2C[N]3(C)->[Ru+2]<-[N](C2)(C1)C3 0.000
#11 CN1C[N]23->[Ru+2]<-[N](C1)(CP(C)C2)C3 0.000
#11 CN1C[N]23->[Ru+2]<-[N](C1)(CP(C)C2)C3 0.000
#11 CN1C[N]23->[Ru+2]<-[N](C1)(CP(C)C2)C3 0.000
#11 CN1C[N]23->[Ru+2]<-[N](C1)(CP(C)C2)C3 0.000
#11 CN1C[N]23->[Ru+2]<-[N](C1)(CP(C)C2)C3 0.000
#11 CN1C[N]23->[Ru+2]<-[N](C1)(CP(C)C2)C3 0.000
#11 CN1C[N]23->[Ru+2]<-[N](C1)(CP(C)C2)C3 0.000
#11 CN1C[N]23->[Ru+2]<-[N](C1)(CP(C)C2)C3 0.000
#11 CN1C[N]23->[Ru+2]<-[N](C1)(CP(C)C2)C3 0.000