← сравнение complex #592 3D Viewer

Complex #592 — Ru(2)

GT: {"N": 1, "O": 2} · Δ = +0.13

{"N": 1, "O": 2}

Ground Truth

0.200

Single-lig

0.333

Sequential

+0.133

Δ Sequential

Single-ligand (v1) — 99 candidates

Pred: {"N": 1}

#2 COC1CC(=O)[N]([Ru+])C1=O 0.917

#2 COC1CC(=O)[N]([Ru+])C1=O 0.917

#2 COC1CC(=O)[N]([Ru+])C1=O 0.917

#2 COC1CC(=O)[N]([Ru+])C1=O 0.917

#2 COC1CC(=O)[N]([Ru+])C1=O 0.917

#2 COC1CC(=O)[N]([Ru+])C1=O 0.917

#2 COC1CC(=O)[N]([Ru+])C1=O 0.917

#2 COC1CC(=O)[N]([Ru+])C1=O 0.917

#2 COC1CC(=O)[N]([Ru+])C1=O 0.917

#3 [CH]12[CH]3[CH]4[CH]5[CH]1[Ru+]2345 0.881

#3 [CH]12[CH]3[CH]4[CH]5[CH]1[Ru+]2345 0.881

#3 [CH]12[CH]3[CH]4[CH]5[CH]1[Ru+]2345 0.881

#3 [CH]12[CH]3[CH]4[CH]5[CH]1[Ru+]2345 0.881

#3 [CH]12[CH]3[CH]4[CH]5[CH]1[Ru+]2345 0.881

#3 [CH]12[CH]3[CH]4[CH]5[CH]1[Ru+]2345 0.881

#3 [CH]12[CH]3[CH]4[CH]5[CH]1[Ru+]2345 0.881

#3 [CH]12[CH]3[CH]4[CH]5[CH]1[Ru+]2345 0.881

#3 [CH]12[CH]3[CH]4[CH]5[CH]1[Ru+]2345 0.881

#4 c1c[cH]2->[Ru+2]<-[cH]2[cH-]1 0.011

#4 c1c[cH]2->[Ru+2]<-[cH]2[cH-]1 0.011

#4 c1c[cH]2->[Ru+2]<-[cH]2[cH-]1 0.011

#4 c1c[cH]2->[Ru+2]<-[cH]2[cH-]1 0.011

#4 c1c[cH]2->[Ru+2]<-[cH]2[cH-]1 0.011

#4 c1c[cH]2->[Ru+2]<-[cH]2[cH-]1 0.011

#4 c1c[cH]2->[Ru+2]<-[cH]2[cH-]1 0.011

#4 c1c[cH]2->[Ru+2]<-[cH]2[cH-]1 0.011

#4 c1c[cH]2->[Ru+2]<-[cH]2[cH-]1 0.011

#5 c1[cH-][cH]2->[Ru+]3<-[cH]1[cH]->32 0.010

#5 c1[cH-][cH]2->[Ru+]3<-[cH]1[cH]->32 0.010

#5 c1[cH-][cH]2->[Ru+]3<-[cH]1[cH]->32 0.010

#5 c1[cH-][cH]2->[Ru+]3<-[cH]1[cH]->32 0.010

#5 c1[cH-][cH]2->[Ru+]3<-[cH]1[cH]->32 0.010

#5 c1[cH-][cH]2->[Ru+]3<-[cH]1[cH]->32 0.010

#5 c1[cH-][cH]2->[Ru+]3<-[cH]1[cH]->32 0.010

#5 c1[cH-][cH]2->[Ru+]3<-[cH]1[cH]->32 0.010

#5 c1[cH-][cH]2->[Ru+]3<-[cH]1[cH]->32 0.010

#6 c1[cH-]c[cH]2->[Ru+2]<-[cH]12 0.008

#6 c1[cH-]c[cH]2->[Ru+2]<-[cH]12 0.008

#6 c1[cH-]c[cH]2->[Ru+2]<-[cH]12 0.008

#6 c1[cH-]c[cH]2->[Ru+2]<-[cH]12 0.008

#6 c1[cH-]c[cH]2->[Ru+2]<-[cH]12 0.008

#6 c1[cH-]c[cH]2->[Ru+2]<-[cH]12 0.008

#6 c1[cH-]c[cH]2->[Ru+2]<-[cH]12 0.008

#6 c1[cH-]c[cH]2->[Ru+2]<-[cH]12 0.008

#6 c1[cH-]c[cH]2->[Ru+2]<-[cH]12 0.008

#7 COC1CC2=[O]->[Ru+2]<-[O]=C1[N-]2 0.000

#7 COC1CC2=[O]->[Ru+2]<-[O]=C1[N-]2 0.000

#7 COC1CC2=[O]->[Ru+2]<-[O]=C1[N-]2 0.000

#7 COC1CC2=[O]->[Ru+2]<-[O]=C1[N-]2 0.000

#7 COC1CC2=[O]->[Ru+2]<-[O]=C1[N-]2 0.000

#7 COC1CC2=[O]->[Ru+2]<-[O]=C1[N-]2 0.000

#7 COC1CC2=[O]->[Ru+2]<-[O]=C1[N-]2 0.000

#7 COC1CC2=[O]->[Ru+2]<-[O]=C1[N-]2 0.000

#7 COC1CC2=[O]->[Ru+2]<-[O]=C1[N-]2 0.000

#8 COC1CC(=O)[N-]C1=[O]->[Ru+2] 0.000

#8 COC1CC(=O)[N-]C1=[O]->[Ru+2] 0.000

#8 COC1CC(=O)[N-]C1=[O]->[Ru+2] 0.000

#8 COC1CC(=O)[N-]C1=[O]->[Ru+2] 0.000

#8 COC1CC(=O)[N-]C1=[O]->[Ru+2] 0.000

#8 COC1CC(=O)[N-]C1=[O]->[Ru+2] 0.000

#8 COC1CC(=O)[N-]C1=[O]->[Ru+2] 0.000

#8 COC1CC(=O)[N-]C1=[O]->[Ru+2] 0.000

#8 COC1CC(=O)[N-]C1=[O]->[Ru+2] 0.000

#9 COC1CC(=[O]->[Ru+2])[N-]C1=O 0.000

#9 COC1CC(=[O]->[Ru+2])[N-]C1=O 0.000

#9 COC1CC(=[O]->[Ru+2])[N-]C1=O 0.000

#9 COC1CC(=[O]->[Ru+2])[N-]C1=O 0.000

#9 COC1CC(=[O]->[Ru+2])[N-]C1=O 0.000

#9 COC1CC(=[O]->[Ru+2])[N-]C1=O 0.000

#9 COC1CC(=[O]->[Ru+2])[N-]C1=O 0.000

#9 COC1CC(=[O]->[Ru+2])[N-]C1=O 0.000

#9 COC1CC(=[O]->[Ru+2])[N-]C1=O 0.000

#10 C[O](->[Ru+2])C1CC(=O)[N-]C1=O 0.000

#10 C[O](->[Ru+2])C1CC(=O)[N-]C1=O 0.000

#10 C[O](->[Ru+2])C1CC(=O)[N-]C1=O 0.000

#10 C[O](->[Ru+2])C1CC(=O)[N-]C1=O 0.000

#10 C[O](->[Ru+2])C1CC(=O)[N-]C1=O 0.000

#10 C[O](->[Ru+2])C1CC(=O)[N-]C1=O 0.000

#10 C[O](->[Ru+2])C1CC(=O)[N-]C1=O 0.000

#10 C[O](->[Ru+2])C1CC(=O)[N-]C1=O 0.000

#10 C[O](->[Ru+2])C1CC(=O)[N-]C1=O 0.000

#11 [Ru+2]<-[cH]1cc[cH-]c1 0.000

#11 [Ru+2]<-[cH]1cc[cH-]c1 0.000

#11 [Ru+2]<-[cH]1cc[cH-]c1 0.000

#11 [Ru+2]<-[cH]1cc[cH-]c1 0.000

#11 [Ru+2]<-[cH]1cc[cH-]c1 0.000

#11 [Ru+2]<-[cH]1cc[cH-]c1 0.000

#11 [Ru+2]<-[cH]1cc[cH-]c1 0.000

#11 [Ru+2]<-[cH]1cc[cH-]c1 0.000

#11 [Ru+2]<-[cH]1cc[cH-]c1 0.000

#12 [Ru+2]<-[cH]1ccc[cH-]1 0.000

#12 [Ru+2]<-[cH]1ccc[cH-]1 0.000

#12 [Ru+2]<-[cH]1ccc[cH-]1 0.000

#12 [Ru+2]<-[cH]1ccc[cH-]1 0.000

#12 [Ru+2]<-[cH]1ccc[cH-]1 0.000

#12 [Ru+2]<-[cH]1ccc[cH-]1 0.000

#12 [Ru+2]<-[cH]1ccc[cH-]1 0.000

#12 [Ru+2]<-[cH]1ccc[cH-]1 0.000

#12 [Ru+2]<-[cH]1ccc[cH-]1 0.000

Sequential multi-lig (v2) — 99 candidates

Pred: {"N": 1}

#2 COC1CC(=O)[N]([Ru+])C1=O 0.917

#2 COC1CC(=O)[N]([Ru+])C1=O 0.917

#2 COC1CC(=O)[N]([Ru+])C1=O 0.917

#2 COC1CC(=O)[N]([Ru+])C1=O 0.917

#2 COC1CC(=O)[N]([Ru+])C1=O 0.917

#2 COC1CC(=O)[N]([Ru+])C1=O 0.917

#2 COC1CC(=O)[N]([Ru+])C1=O 0.917

#2 COC1CC(=O)[N]([Ru+])C1=O 0.917

#2 COC1CC(=O)[N]([Ru+])C1=O 0.917

#3 [CH]12[CH]3[CH]4[CH]5[CH]1[Ru+]2345 0.881

#3 [CH]12[CH]3[CH]4[CH]5[CH]1[Ru+]2345 0.881

#3 [CH]12[CH]3[CH]4[CH]5[CH]1[Ru+]2345 0.881

#3 [CH]12[CH]3[CH]4[CH]5[CH]1[Ru+]2345 0.881

#3 [CH]12[CH]3[CH]4[CH]5[CH]1[Ru+]2345 0.881

#3 [CH]12[CH]3[CH]4[CH]5[CH]1[Ru+]2345 0.881

#3 [CH]12[CH]3[CH]4[CH]5[CH]1[Ru+]2345 0.881

#3 [CH]12[CH]3[CH]4[CH]5[CH]1[Ru+]2345 0.881

#3 [CH]12[CH]3[CH]4[CH]5[CH]1[Ru+]2345 0.881

#4 c1c[cH]2->[Ru+2]<-[cH]2[cH-]1 0.011

#4 c1c[cH]2->[Ru+2]<-[cH]2[cH-]1 0.011

#4 c1c[cH]2->[Ru+2]<-[cH]2[cH-]1 0.011

#4 c1c[cH]2->[Ru+2]<-[cH]2[cH-]1 0.011

#4 c1c[cH]2->[Ru+2]<-[cH]2[cH-]1 0.011

#4 c1c[cH]2->[Ru+2]<-[cH]2[cH-]1 0.011

#4 c1c[cH]2->[Ru+2]<-[cH]2[cH-]1 0.011

#4 c1c[cH]2->[Ru+2]<-[cH]2[cH-]1 0.011

#4 c1c[cH]2->[Ru+2]<-[cH]2[cH-]1 0.011

#5 c1[cH-][cH]2->[Ru+]3<-[cH]1[cH]->32 0.010

#5 c1[cH-][cH]2->[Ru+]3<-[cH]1[cH]->32 0.010

#5 c1[cH-][cH]2->[Ru+]3<-[cH]1[cH]->32 0.010

#5 c1[cH-][cH]2->[Ru+]3<-[cH]1[cH]->32 0.010

#5 c1[cH-][cH]2->[Ru+]3<-[cH]1[cH]->32 0.010

#5 c1[cH-][cH]2->[Ru+]3<-[cH]1[cH]->32 0.010

#5 c1[cH-][cH]2->[Ru+]3<-[cH]1[cH]->32 0.010

#5 c1[cH-][cH]2->[Ru+]3<-[cH]1[cH]->32 0.010

#5 c1[cH-][cH]2->[Ru+]3<-[cH]1[cH]->32 0.010

#6 c1[cH-]c[cH]2->[Ru+2]<-[cH]12 0.008

#6 c1[cH-]c[cH]2->[Ru+2]<-[cH]12 0.008

#6 c1[cH-]c[cH]2->[Ru+2]<-[cH]12 0.008

#6 c1[cH-]c[cH]2->[Ru+2]<-[cH]12 0.008

#6 c1[cH-]c[cH]2->[Ru+2]<-[cH]12 0.008

#6 c1[cH-]c[cH]2->[Ru+2]<-[cH]12 0.008

#6 c1[cH-]c[cH]2->[Ru+2]<-[cH]12 0.008

#6 c1[cH-]c[cH]2->[Ru+2]<-[cH]12 0.008

#6 c1[cH-]c[cH]2->[Ru+2]<-[cH]12 0.008

#7 COC1CC2=[O]->[Ru+2]<-[O]=C1[N-]2 0.000

#7 COC1CC2=[O]->[Ru+2]<-[O]=C1[N-]2 0.000

#7 COC1CC2=[O]->[Ru+2]<-[O]=C1[N-]2 0.000

#7 COC1CC2=[O]->[Ru+2]<-[O]=C1[N-]2 0.000

#7 COC1CC2=[O]->[Ru+2]<-[O]=C1[N-]2 0.000

#7 COC1CC2=[O]->[Ru+2]<-[O]=C1[N-]2 0.000

#7 COC1CC2=[O]->[Ru+2]<-[O]=C1[N-]2 0.000

#7 COC1CC2=[O]->[Ru+2]<-[O]=C1[N-]2 0.000

#7 COC1CC2=[O]->[Ru+2]<-[O]=C1[N-]2 0.000

#8 COC1CC(=O)[N-]C1=[O]->[Ru+2] 0.000

#8 COC1CC(=O)[N-]C1=[O]->[Ru+2] 0.000

#8 COC1CC(=O)[N-]C1=[O]->[Ru+2] 0.000

#8 COC1CC(=O)[N-]C1=[O]->[Ru+2] 0.000

#8 COC1CC(=O)[N-]C1=[O]->[Ru+2] 0.000

#8 COC1CC(=O)[N-]C1=[O]->[Ru+2] 0.000

#8 COC1CC(=O)[N-]C1=[O]->[Ru+2] 0.000

#8 COC1CC(=O)[N-]C1=[O]->[Ru+2] 0.000

#8 COC1CC(=O)[N-]C1=[O]->[Ru+2] 0.000

#9 COC1CC(=[O]->[Ru+2])[N-]C1=O 0.000

#9 COC1CC(=[O]->[Ru+2])[N-]C1=O 0.000

#9 COC1CC(=[O]->[Ru+2])[N-]C1=O 0.000

#9 COC1CC(=[O]->[Ru+2])[N-]C1=O 0.000

#9 COC1CC(=[O]->[Ru+2])[N-]C1=O 0.000

#9 COC1CC(=[O]->[Ru+2])[N-]C1=O 0.000

#9 COC1CC(=[O]->[Ru+2])[N-]C1=O 0.000

#9 COC1CC(=[O]->[Ru+2])[N-]C1=O 0.000

#9 COC1CC(=[O]->[Ru+2])[N-]C1=O 0.000

#10 C[O](->[Ru+2])C1CC(=O)[N-]C1=O 0.000

#10 C[O](->[Ru+2])C1CC(=O)[N-]C1=O 0.000

#10 C[O](->[Ru+2])C1CC(=O)[N-]C1=O 0.000

#10 C[O](->[Ru+2])C1CC(=O)[N-]C1=O 0.000

#10 C[O](->[Ru+2])C1CC(=O)[N-]C1=O 0.000

#10 C[O](->[Ru+2])C1CC(=O)[N-]C1=O 0.000

#10 C[O](->[Ru+2])C1CC(=O)[N-]C1=O 0.000

#10 C[O](->[Ru+2])C1CC(=O)[N-]C1=O 0.000

#10 C[O](->[Ru+2])C1CC(=O)[N-]C1=O 0.000

#11 [Ru+2]<-[cH]1cc[cH-]c1 0.000

#11 [Ru+2]<-[cH]1cc[cH-]c1 0.000

#11 [Ru+2]<-[cH]1cc[cH-]c1 0.000

#11 [Ru+2]<-[cH]1cc[cH-]c1 0.000

#11 [Ru+2]<-[cH]1cc[cH-]c1 0.000

#11 [Ru+2]<-[cH]1cc[cH-]c1 0.000

#11 [Ru+2]<-[cH]1cc[cH-]c1 0.000

#11 [Ru+2]<-[cH]1cc[cH-]c1 0.000

#11 [Ru+2]<-[cH]1cc[cH-]c1 0.000

#12 [Ru+2]<-[cH]1ccc[cH-]1 0.000

#12 [Ru+2]<-[cH]1ccc[cH-]1 0.000

#12 [Ru+2]<-[cH]1ccc[cH-]1 0.000

#12 [Ru+2]<-[cH]1ccc[cH-]1 0.000

#12 [Ru+2]<-[cH]1ccc[cH-]1 0.000

#12 [Ru+2]<-[cH]1ccc[cH-]1 0.000

#12 [Ru+2]<-[cH]1ccc[cH-]1 0.000

#12 [Ru+2]<-[cH]1ccc[cH-]1 0.000

#12 [Ru+2]<-[cH]1ccc[cH-]1 0.000