Compare #508 — BiometalDB

{"O": 1}

Ground Truth

0.667

Single-lig

0.000

Sequential

-0.667

Δ Sequential

Single-ligand (v1) — 207 candidates

Pred: {"O": 2}

#2 O=C1C=C2[O][Ru+]<-[O]=C2c2ccccc21 0.807

#3 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.100

#4 O=C1C=C([O-])C(=O)[c]23->[Ru+2]4567<-[cH]([cH]->4[cH]->52)[cH]->6[c]->731 0.000

#5 O=C1C=C([O-])[C]2([O][Ru+2]2)c2ccccc21 0.000

#6 O=C1C=C([O-]->[Ru+2])C(=O)c2ccccc21 0.000

#7 O=C1C=C([O-])C(=[O]->[Ru+2])c2ccccc21 0.000

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

#9 O=C1C=C([O-])C(=O)C2=C1[CH]1[Ru+2][CH]1C=C2 0.000

#10 O=C1C=C([O-])C(=O)c2c1[cH]1->[Ru+2]34<-[cH]2[cH]->3[cH]->41 0.000

#11 O=C1C=C([O-])C(=O)c2c1c[cH]1->[Ru+]3<-[cH]2[cH]->31 0.000

#12 O=C1C([O-])=CC(=O)c2c1c[cH]1->[Ru+]3<-[cH]2[cH]->31 0.000

#13 O=C1C=C([O-])C(=O)c2c[cH]3->[Ru+2]<-[cH]3cc21 0.000

#14 O=C1C([O-])=[CH](->[Ru+2])C(=O)c2ccccc21 0.000

#15 O=C1C=C([O-])C(=O)C2=C1[CH]1[CH]3[CH]4[CH]2[Ru+2]134 0.000

#16 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cccc4c3C(=O)C=C([O-])C4=O)<-[cH]12 0.000

#17 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cccc4c3C(=O)C([O-])=CC4=O)<-[cH]12 0.000

#18 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3ccc4c([cH]->23)C(=O)C([O-])=CC4=O)c1 0.000

#19 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3ccc4c([cH]->23)C(=O)C=C([O-])C4=O)c1 0.000

#20 O=C1C=C([O-])C(=O)c2c1ccc[cH]2->[Ru+2] 0.000

#21 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3cc4c(c[cH]->23)C(=O)C([O-])=CC4=O)c1 0.000

#22 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2ccc3c([cH]->12)C(=O)C=C([O-])C3=O 0.000

#23 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccc4c(c3)C(=O)C=C([O-])C4=O)<-[cH]12 0.000

#24 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2cc3c(c[cH]->12)C(=O)C([O-])=CC3=O 0.000

Sequential multi-lig (v2) — 207 candidates