← сравнение complex #7 3D Viewer

Complex #7 — Ru(2)

GT: {"N": 5, "P": 1} · Δ = +0.40
{"N": 5, "P": 1}
Ground Truth
0.000
Single-lig
0.400
Sequential
+0.400
Δ Sequential
Single-ligand (v1) — 12 candidates
Pred:
#2 C[N+]12CN3CN(C1)C[P](->[Ru+2])(C3)C2 1.000
#2 C[N+]12CN3CN(C1)C[P](->[Ru+2]<-[P]14CN5CN(C[N+](C)(C5)C1)C4)(C3)C2 0.810
#2 C[N+]12CN3CN(C1)C[P](->[Ru+2]14(<-[n]5cccn5[BH-](n5ccc[n]->15)n1ccc[n]->41)<-[P]... 0.910
#3 C[N+]12CN3C[N]4(->[Ru+2]<-[P](C3)(C4)C1)C2 0.010
#3 C[N+]12CN3CN(C1)C[P](->[Ru+2]1<-[N]45CN6C[N+](C)(C4)C[P]->1(C6)C5)(C3)C2 0.190
#3 C[N+]12CN3CN(C1)C[P](->[Ru+2]1(<-[n]4cccn4[BH-](n4cccn4)n4ccc[n]->14)<-[P]14CN5C... 0.030
#4 C[N+]12CN3CP(C[N](->[Ru+2])(C3)C1)C2 0.010
#4 C[N+]12CP3C[N]4(->[Ru+2](<-[N](C3)(C4)C1)<-[P]13CN4CN(C[N+](C)(C4)C1)C3)C2 0.000
#4 C[N+]12CN3CN(C1)C[P](->[Ru+2](<-[n]1cccn1[BH-](n1cccn1)n1cccn1)<-[P]14CN5CN(C[N+... 0.000
#5 C[N+]12CP3C[N]4(->[Ru+2]<-[N](C3)(C4)C1)C2 0.000
#5 C[N+]12CN3CP(C[N](->[Ru+2]<-[P]45CN6CN(C[N+](C)(C6)C4)C5)(C3)C1)C2 0.000
#5 C[N+]12CN3CN(C1)C[P](->[Ru+2](<-[cH]1cnn([BH-](n4cccn4)n4cccn4)c1)<-[P]14CN5CN(C... 0.000
Sequential multi-lig (v2) — 12 candidates
Pred: {"P": 5, "N": 3}
#2 C[N+]12CN3CN(C1)C[P](->[Ru+2])(C3)C2 1.000
#2 C[N+]12CN3CN(C1)C[P](->[Ru+2]<-[P]14CN5CN(C[N+](C)(C5)C1)C4)(C3)C2 0.810
#2 C[N+]12CN3CN(C1)C[P](->[Ru+2]14(<-[n]5cccn5[BH-](n5ccc[n]->15)n1ccc[n]->41)<-[P]... 0.910
#3 C[N+]12CN3C[N]4(->[Ru+2]<-[P](C3)(C4)C1)C2 0.010
#3 C[N+]12CN3CN(C1)C[P](->[Ru+2]1<-[N]45CN6C[N+](C)(C4)C[P]->1(C6)C5)(C3)C2 0.190
#3 C[N+]12CN3CN(C1)C[P](->[Ru+2]1(<-[n]4cccn4[BH-](n4cccn4)n4ccc[n]->14)<-[P]14CN5C... 0.030
#4 C[N+]12CN3CP(C[N](->[Ru+2])(C3)C1)C2 0.010
#4 C[N+]12CP3C[N]4(->[Ru+2](<-[N](C3)(C4)C1)<-[P]13CN4CN(C[N+](C)(C4)C1)C3)C2 0.000
#4 C[N+]12CN3CN(C1)C[P](->[Ru+2](<-[n]1cccn1[BH-](n1cccn1)n1cccn1)<-[P]14CN5CN(C[N+... 0.000
#5 C[N+]12CP3C[N]4(->[Ru+2]<-[N](C3)(C4)C1)C2 0.000
#5 C[N+]12CN3CP(C[N](->[Ru+2]<-[P]45CN6CN(C[N+](C)(C6)C4)C5)(C3)C1)C2 0.000
#5 C[N+]12CN3CN(C1)C[P](->[Ru+2](<-[cH]1cnn([BH-](n4cccn4)n4cccn4)c1)<-[P]14CN5CN(C... 0.000