← сравнение complex #597 3D Viewer

Complex #597 — Ru(2)

GT: {"N": 3} · Δ = -1.00
{"N": 3}
Ground Truth
1.000
Single-lig
0.000
Sequential
-1.000
Δ Sequential
Single-ligand (v1) — 54 candidates
Pred: N:1,S:1
#1 CCc1nn(C(N)=S)c(CC)[cH]1->[Ru+2] 0.000
#1 CCc1nn(C(N)=S)c(CC)[cH]1->[Ru+2] 0.000
#1 CCc1nn(C(N)=S)c(CC)[cH]1->[Ru+2] 0.000
#1 CCc1nn(C(N)=S)c(CC)[cH]1->[Ru+2] 0.000
#1 CCc1nn(C(N)=S)c(CC)[cH]1->[Ru+2] 0.000
#1 CCc1nn(C(N)=S)c(CC)[cH]1->[Ru+2] 0.000
#1 CCc1nn(C(N)=S)c(CC)[cH]1->[Ru+2] 0.000
#1 CCc1nn(C(N)=S)c(CC)[cH]1->[Ru+2] 0.000
#1 CCc1nn(C(N)=S)c(CC)[cH]1->[Ru+2] 0.000
#2 CCc1cc(CC)[n]2->[Ru+2]<-[S]=C(N)n12 0.000
#2 CCc1cc(CC)[n]2->[Ru+2]<-[S]=C(N)n12 0.000
#2 CCc1cc(CC)[n]2->[Ru+2]<-[S]=C(N)n12 0.000
#2 CCc1cc(CC)[n]2->[Ru+2]<-[S]=C(N)n12 0.000
#2 CCc1cc(CC)[n]2->[Ru+2]<-[S]=C(N)n12 0.000
#2 CCc1cc(CC)[n]2->[Ru+2]<-[S]=C(N)n12 0.000
#2 CCc1cc(CC)[n]2->[Ru+2]<-[S]=C(N)n12 0.000
#2 CCc1cc(CC)[n]2->[Ru+2]<-[S]=C(N)n12 0.000
#2 CCc1cc(CC)[n]2->[Ru+2]<-[S]=C(N)n12 0.000
#3 CCc1cc(CC)n(C(=S)[NH2]->[Ru+2])n1 0.000
#3 CCc1cc(CC)n(C(=S)[NH2]->[Ru+2])n1 0.000
#3 CCc1cc(CC)n(C(=S)[NH2]->[Ru+2])n1 0.000
#3 CCc1cc(CC)n(C(=S)[NH2]->[Ru+2])n1 0.000
#3 CCc1cc(CC)n(C(=S)[NH2]->[Ru+2])n1 0.000
#3 CCc1cc(CC)n(C(=S)[NH2]->[Ru+2])n1 0.000
#3 CCc1cc(CC)n(C(=S)[NH2]->[Ru+2])n1 0.000
#3 CCc1cc(CC)n(C(=S)[NH2]->[Ru+2])n1 0.000
#3 CCc1cc(CC)n(C(=S)[NH2]->[Ru+2])n1 0.000
#4 CCc1cc(CC)n(C(N)=[S]->[Ru+2])n1 0.000
#4 CCc1cc(CC)n(C(N)=[S]->[Ru+2])n1 0.000
#4 CCc1cc(CC)n(C(N)=[S]->[Ru+2])n1 0.000
#4 CCc1cc(CC)n(C(N)=[S]->[Ru+2])n1 0.000
#4 CCc1cc(CC)n(C(N)=[S]->[Ru+2])n1 0.000
#4 CCc1cc(CC)n(C(N)=[S]->[Ru+2])n1 0.000
#4 CCc1cc(CC)n(C(N)=[S]->[Ru+2])n1 0.000
#4 CCc1cc(CC)n(C(N)=[S]->[Ru+2])n1 0.000
#4 CCc1cc(CC)n(C(N)=[S]->[Ru+2])n1 0.000
#5 CCc1cc(CC)[n]2->[Ru+2]<-[NH2]C(=S)n12 0.000
#5 CCc1cc(CC)[n]2->[Ru+2]<-[NH2]C(=S)n12 0.000
#5 CCc1cc(CC)[n]2->[Ru+2]<-[NH2]C(=S)n12 0.000
#5 CCc1cc(CC)[n]2->[Ru+2]<-[NH2]C(=S)n12 0.000
#5 CCc1cc(CC)[n]2->[Ru+2]<-[NH2]C(=S)n12 0.000
#5 CCc1cc(CC)[n]2->[Ru+2]<-[NH2]C(=S)n12 0.000
#5 CCc1cc(CC)[n]2->[Ru+2]<-[NH2]C(=S)n12 0.000
#5 CCc1cc(CC)[n]2->[Ru+2]<-[NH2]C(=S)n12 0.000
#5 CCc1cc(CC)[n]2->[Ru+2]<-[NH2]C(=S)n12 0.000
#6 CCc1cc(CC)[n](->[Ru+2])n1C(N)=S 0.000
#6 CCc1cc(CC)[n](->[Ru+2])n1C(N)=S 0.000
#6 CCc1cc(CC)[n](->[Ru+2])n1C(N)=S 0.000
#6 CCc1cc(CC)[n](->[Ru+2])n1C(N)=S 0.000
#6 CCc1cc(CC)[n](->[Ru+2])n1C(N)=S 0.000
#6 CCc1cc(CC)[n](->[Ru+2])n1C(N)=S 0.000
#6 CCc1cc(CC)[n](->[Ru+2])n1C(N)=S 0.000
#6 CCc1cc(CC)[n](->[Ru+2])n1C(N)=S 0.000
#6 CCc1cc(CC)[n](->[Ru+2])n1C(N)=S 0.000
Sequential multi-lig (v2) — 54 candidates
Pred: {"N": 2, "S": 2}
#1 CCc1nn(C(N)=S)c(CC)[cH]1->[Ru+2] 0.000
#1 CCc1nn(C(N)=S)c(CC)[cH]1->[Ru+2] 0.000
#1 CCc1nn(C(N)=S)c(CC)[cH]1->[Ru+2] 0.000
#1 CCc1nn(C(N)=S)c(CC)[cH]1->[Ru+2] 0.000
#1 CCc1nn(C(N)=S)c(CC)[cH]1->[Ru+2] 0.000
#1 CCc1nn(C(N)=S)c(CC)[cH]1->[Ru+2] 0.000
#1 CCc1nn(C(N)=S)c(CC)[cH]1->[Ru+2] 0.000
#1 CCc1nn(C(N)=S)c(CC)[cH]1->[Ru+2] 0.000
#1 CCc1nn(C(N)=S)c(CC)[cH]1->[Ru+2] 0.000
#2 CCc1cc(CC)[n]2->[Ru+2]<-[S]=C(N)n12 0.000
#2 CCc1cc(CC)[n]2->[Ru+2]<-[S]=C(N)n12 0.000
#2 CCc1cc(CC)[n]2->[Ru+2]<-[S]=C(N)n12 0.000
#2 CCc1cc(CC)[n]2->[Ru+2]<-[S]=C(N)n12 0.000
#2 CCc1cc(CC)[n]2->[Ru+2]<-[S]=C(N)n12 0.000
#2 CCc1cc(CC)[n]2->[Ru+2]<-[S]=C(N)n12 0.000
#2 CCc1cc(CC)[n]2->[Ru+2]<-[S]=C(N)n12 0.000
#2 CCc1cc(CC)[n]2->[Ru+2]<-[S]=C(N)n12 0.000
#2 CCc1cc(CC)[n]2->[Ru+2]<-[S]=C(N)n12 0.000
#3 CCc1cc(CC)n(C(=S)[NH2]->[Ru+2])n1 0.000
#3 CCc1cc(CC)n(C(=S)[NH2]->[Ru+2])n1 0.000
#3 CCc1cc(CC)n(C(=S)[NH2]->[Ru+2])n1 0.000
#3 CCc1cc(CC)n(C(=S)[NH2]->[Ru+2])n1 0.000
#3 CCc1cc(CC)n(C(=S)[NH2]->[Ru+2])n1 0.000
#3 CCc1cc(CC)n(C(=S)[NH2]->[Ru+2])n1 0.000
#3 CCc1cc(CC)n(C(=S)[NH2]->[Ru+2])n1 0.000
#3 CCc1cc(CC)n(C(=S)[NH2]->[Ru+2])n1 0.000
#3 CCc1cc(CC)n(C(=S)[NH2]->[Ru+2])n1 0.000
#4 CCc1cc(CC)n(C(N)=[S]->[Ru+2])n1 0.000
#4 CCc1cc(CC)n(C(N)=[S]->[Ru+2])n1 0.000
#4 CCc1cc(CC)n(C(N)=[S]->[Ru+2])n1 0.000
#4 CCc1cc(CC)n(C(N)=[S]->[Ru+2])n1 0.000
#4 CCc1cc(CC)n(C(N)=[S]->[Ru+2])n1 0.000
#4 CCc1cc(CC)n(C(N)=[S]->[Ru+2])n1 0.000
#4 CCc1cc(CC)n(C(N)=[S]->[Ru+2])n1 0.000
#4 CCc1cc(CC)n(C(N)=[S]->[Ru+2])n1 0.000
#4 CCc1cc(CC)n(C(N)=[S]->[Ru+2])n1 0.000
#5 CCc1cc(CC)[n]2->[Ru+2]<-[NH2]C(=S)n12 0.000
#5 CCc1cc(CC)[n]2->[Ru+2]<-[NH2]C(=S)n12 0.000
#5 CCc1cc(CC)[n]2->[Ru+2]<-[NH2]C(=S)n12 0.000
#5 CCc1cc(CC)[n]2->[Ru+2]<-[NH2]C(=S)n12 0.000
#5 CCc1cc(CC)[n]2->[Ru+2]<-[NH2]C(=S)n12 0.000
#5 CCc1cc(CC)[n]2->[Ru+2]<-[NH2]C(=S)n12 0.000
#5 CCc1cc(CC)[n]2->[Ru+2]<-[NH2]C(=S)n12 0.000
#5 CCc1cc(CC)[n]2->[Ru+2]<-[NH2]C(=S)n12 0.000
#5 CCc1cc(CC)[n]2->[Ru+2]<-[NH2]C(=S)n12 0.000
#6 CCc1cc(CC)[n](->[Ru+2])n1C(N)=S 0.000
#6 CCc1cc(CC)[n](->[Ru+2])n1C(N)=S 0.000
#6 CCc1cc(CC)[n](->[Ru+2])n1C(N)=S 0.000
#6 CCc1cc(CC)[n](->[Ru+2])n1C(N)=S 0.000
#6 CCc1cc(CC)[n](->[Ru+2])n1C(N)=S 0.000
#6 CCc1cc(CC)[n](->[Ru+2])n1C(N)=S 0.000
#6 CCc1cc(CC)[n](->[Ru+2])n1C(N)=S 0.000
#6 CCc1cc(CC)[n](->[Ru+2])n1C(N)=S 0.000
#6 CCc1cc(CC)[n](->[Ru+2])n1C(N)=S 0.000