Compare #448 — BiometalDB

{"N": 4, "P": 1, "O": 1}

Ground Truth

0.000

Single-lig

0.000

Sequential

+0.000

Δ Sequential

Single-ligand (v1) — 207 candidates

Pred: {"P": 1}

#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.990

#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.244

#4 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.032

#5 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.025

#6 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.005

#7 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.005

#8 S=c1ccccn1[O][Ru+] 0.003

#9 [O-]n1ccccc1=[S]->[Ru+2] 0.002

#10 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000

#11 [O-]n1c[cH]2->[Ru+]3<-[cH](c1=S)[cH]->32 0.000

#12 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000

#13 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000

#14 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3ccn([O-])c(=S)[cH]->23)c1 0.000

#15 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2ccn([O-])c(=S)[cH]->12 0.000

#16 [O-]n1c[cH]2->[Ru+2]<-[cH]2cc1=S 0.000

#17 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cccn([O-])c3=S)<-[cH]12 0.000

#18 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccn([O-])c(=S)c3)<-[cH]12 0.000

#19 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccc(=S)n([O-])c3)<-[cH]12 0.000

#20 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3cc(=S)n([O-])c[cH]->23)c1 0.000

#21 [O-]n1ccc[cH](->[Ru+2])c1=S 0.000

#22 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2cc(=S)n([O-])c[cH]->12 0.000

#23 [O-]n1cc[cH](->[Ru+2])cc1=S 0.000

#24 [O-]n1c[cH](->[Ru+2])ccc1=S 0.000

Sequential multi-lig (v2) — 207 candidates

Pred: {"P": 3, "O": 1, "S": 1}