Compare #452 — BiometalDB

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

Ground Truth

0.000

Single-lig

0.000

Sequential

+0.000

Δ Sequential

Single-ligand (v1) — 234 candidates

Pred: {"P": 1}

#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.994

#3 Clc1cc(I)c2[O][Ru+]<-[n]3cccc1c23 0.973

#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.250

#5 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.033

#6 Clc1cc(I)c([O][Ru+])c2ncccc12 0.021

#7 Clc1cc(I)c2[O-]->[Ru+2]<-[n]3cccc1c23 0.010

#8 Clc1cc(I)c2[O][Ru+](<-[n]3cccc1c23)<-[N]12CN3CN(CP(C3)C1)C2 0.002

#9 Clc1cc(I)c([O][Ru+]<-[N]23CN4CN(CP(C4)C2)C3)c2ncccc12 0.001

#10 Cc1ccc(C(C)C)[cH](->[Ru+][O]c2c(I)cc(Cl)c3cccnc23)c1 0.000

#11 Cc1ccc(C(C)C)c[cH]1->[Ru+][O]c1c(I)cc(Cl)c2cccnc12 0.000

#12 [O-]c1c(I)cc(Cl)c2ccc[n](->[Ru+2])c12 0.000

#13 Clc1cc(I)c2[O][Ru+]<-[cH]3ccnc2c13 0.000

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

#15 Clc1cc(I)c2[O][Ru+]<-[cH]3cnc2c1c3 0.000

#16 Clc1cc(I)c([O-]->[Ru+2])c2ncccc12 0.000

#17 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]12)<-[n]1cccc2c(Cl)cc(I)c([O-])c21 0.000

#18 [O-]c1c(I)cc(Cl)c2c1nc[cH]1->[Ru+2]<-[cH]21 0.000

#19 [O-]c1c(I)cc(Cl)c2c1N=C[CH]1[Ru+2][CH]21 0.000

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

#21 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cnc4c([O-])c(I)cc(Cl)c4c3)<-[cH]12 0.000

#22 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3cnc4c([O-])c(I)cc(Cl)c4[cH]->23)c1 0.000

#23 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2cnc3c([O-])c(I)cc(Cl)c3[cH]->12 0.000

#24 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3c(I)c([O-])c4ncccc4c3Cl)<-[cH]12 0.000

#25 [O-]c1c(I)[cH]2->[Ru+2]3<-[cH]4cnc1c(c2Cl)[cH]->34 0.000

#26 [O-]c1c(I)cc(Cl)c2c1ncc[cH]2->[Ru+2] 0.000

#27 [O-]c1c(I)[cH](->[Ru+2])c(Cl)c2cccnc12 0.000

Sequential multi-lig (v2) — 234 candidates

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