Compare #668 — BiometalDB

{"N": 4}

Ground Truth

0.000

Single-lig

0.000

Sequential

+0.000

Δ Sequential

Single-ligand (v1) — 216 candidates

Pred: C:6(eta)

#2 C[C]12[C]3(C)[C]4(C)[C]5(C)[C]1(C)[Ir+2]2345 0.976

#3 Fc1ccc(F)c([N]2[Ir+2]<-[O]=C2c2ccccc2)c1 0.205

#4 O=C([N-]c1cc(F)ccc1F)c1cc[cH]2->[Ir+2]3<-[cH]1[cH]->32 0.000

#5 O=C([N-]c1cc(F)ccc1F)c1cc[cH](->[Ir+3])cc1 0.000

#6 O=C([N-]c1c(F)ccc(F)[cH]1->[Ir+3])c1ccccc1 0.000

#7 O=C([N-]c1cc(F)ccc1F)c1ccc[cH]2->[Ir+3]<-[cH]12 0.000

#8 O=C([N-]c1cc(F)ccc1F)c1cc[cH]2->[Ir+3]<-[cH]2c1 0.000

#9 O=C([N-]c1cc(F)[cH]2->[Ir+3]<-[cH]2c1F)c1ccccc1 0.000

#10 O=C([N-]c1cc(F)c[cH](->[Ir+3])c1F)c1ccccc1 0.000

#11 O=C([N-]c1cc(F)ccc1F)c1cccc[cH]1->[Ir+3] 0.000

#12 O=C1[N-]c2cc(F)[cH]3->[Ir+3](<-[cH]4ccc1cc4)<-[cH]3c2F 0.000

#13 O=C([N-]c1cc(F)ccc1F)C1=CC=C[CH]2[Ir+3][CH]12 0.000

#14 O=C1[N-]c2c(F)ccc(F)[cH]2->[Ir+3]2<-[cH]3ccc1c[cH]->23 0.000

#15 O=C1[N-]c2cc(F)[cH]3->[Ir+3](<-[cH]4ccccc41)<-[cH]3c2F 0.000

#16 O=C1[N-]c2cc(F)[cH]3->[Ir+3](<-[cH]4cccc1c4)<-[cH]3c2F 0.000

#17 O=C1[N-]c2c(F)ccc(F)[cH]2->[Ir+3]2<-[cH]3cccc1[cH]->23 0.000

#18 O=C1[N-]c2cc(F)c[cH](->[Ir+3]3<-[cH]4cccc1[cH]->34)c2F 0.000

#19 O=C1[N-]c2cc(F)c[cH](->[Ir+3]3<-[cH]4ccc1c[cH]->34)c2F 0.000

#20 O=C1[N-]c2cc(F)[cH](->[Ir+3]3<-[cH]4cccc1[cH]->34)cc2F 0.000

#21 O=C1[N-]c2cc(F)[cH](->[Ir+3]3<-[cH]4ccc1c[cH]->34)cc2F 0.000

#22 O=C([N-]c1cc(F)ccc1F)C1=C[CH]2[Ir+3][CH]2C=C1 0.000

#23 O=C([N-]c1cc(F)ccc1F)[c]12->[Ir+3]3456<-[cH]([cH]->3[cH]->41)[cH]->5[cH]->62 0.000

#24 O=C([N-]c1cc(F)ccc1F)c1c[cH]2->[Ir+3]34<-[cH]1[cH]->3[cH]->42 0.000

#25 O=C([N-]c1cc(F)ccc1F)C1=C[CH]2[CH]3[CH]4[CH]1[Ir+3]234 0.000

Sequential multi-lig (v2) — 216 candidates

Pred: {"N": 4}