Compare #667 — BiometalDB

{"N": 6}

Ground Truth

0.000

Single-lig

0.500

Sequential

+0.500

Δ Sequential

Single-ligand (v1) — 198 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 O=C(c1ccccc1)[N]([Ir+2])c1ccc(F)cc1F 0.632

#4 Fc1ccc([N]2[Ir+2]<-[O]=C2c2ccccc2)c(F)c1 0.215

#5 O=C([N-]c1ccc(F)cc1F)c1c[cH]2->[Ir+2]3<-[cH](c1)[cH]->32 0.000

#6 Fc1ccc([N-]C(=[O]->[Ir+3])c2ccccc2)c(F)c1 0.000

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

#8 O=C([N-]c1c(F)cc(F)[cH]2->[Ir+3]<-[cH]12)c1ccccc1 0.000

#9 O=C([N-]c1ccc(F)cc1F)c1ccc[cH]2->[Ir+3]<-[cH]12 0.000

#10 O=C([N-]c1ccc(F)cc1F)c1ccc[cH](->[Ir+3])c1 0.000

#11 O=C([N-]c1ccc(F)cc1F)c1cc[cH]2->[Ir+3]<-[cH]2c1 0.000

#12 O=C1[N-]c2c(F)cc(F)[cH]3->[Ir+3](<-[cH]4ccc1cc4)<-[cH]23 0.000

#13 O=C1[N-]c2c(F)cc(F)[cH]3->[Ir+3](<-[cH]4cccc1c4)<-[cH]23 0.000

#14 O=C([N-]c1ccc(F)cc1F)c1cccc[cH]1->[Ir+3] 0.000

#15 O=C1[N-]c2c(F)cc(F)[cH]3->[Ir+3](<-[cH]4ccccc41)<-[cH]23 0.000

#16 O=C([N-]c1ccc(F)[cH](->[Ir+3])c1F)c1ccccc1 0.000

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

#18 O=C([N-]c1ccc(F)cc1F)C1=CC=C[CH]2[Ir+3][CH]12 0.000

#19 O=C([N-]c1c[cH](->[Ir+3])c(F)cc1F)c1ccccc1 0.000

#20 O=C([N-]c1ccc(F)cc1F)C1=C[CH]2[Ir+3][CH]2C=C1 0.000

#21 O=C1[N-]c2ccc(F)[cH](->[Ir+3]3<-[cH]4cccc1[cH]->34)c2F 0.000

#22 O=C1[N-]c2ccc(F)[cH](->[Ir+3]3<-[cH]4ccc1c[cH]->34)c2F 0.000

#23 O=C([N-]c1ccc(F)cc1F)c1c[cH]2->[Ir+3]34<-[cH]1[cH]->3[cH]->42 0.000

Sequential multi-lig (v2) — 198 candidates

Pred: {"N": 12}