Compare #507 — BiometalDB

{"O": 1}

Ground Truth

0.000

Single-lig

0.000

Sequential

+0.000

Δ Sequential

Single-ligand (v1) — 216 candidates

Pred: C:6(eta)

#2 CC1[C]2(C)[C]3(C)[C]4(C)[C]1(C)[Ru+2]234 0.916

#3 C[C]12[C]3(C)[C]4(C)[C]5(C)[C]1(C)[Ru+]2345 0.854

#4 CC1=C2[O][Ru+]<-[O]=C2c2ccccc2C1=O 0.810

#5 CC1=C2[O][Ru+]<-[O]=C1c1ccccc1C2=O 0.157

#6 CC1=C([O][Ru+])C(=O)c2ccccc2C1=O 0.086

#7 CC1=C(C)[C]2(C)[Ru+2][C]2(C)C1C 0.013

#8 CC1=C2[O-]->[Ru+2]<-[O]=C1c1ccccc1C2=O 0.001

#9 CC1=C([O-])C(=O)[c]23->[Ru+2]4567<-[cH]([cH]->4[cH]->52)[cH]->6[c]->73C1=O 0.000

#10 CC1=C([O-]->[Ru+2])C(=O)c2ccccc2C1=O 0.000

#11 CC1=C([O-])C(=O)c2ccccc2C1=[O]->[Ru+2] 0.000

#12 CC1=C([O-])[C]2([O][Ru+2]2)c2ccccc2C1=O 0.000

#13 CC1=C([O-])C(=[O]->[Ru+2])c2ccccc2C1=O 0.000

#14 CC1=C([O-])C(=O)c2c([cH]3->[Ru+2]45<-[cH]2[cH]->4[cH]->53)C1=O 0.000

#15 CC1=C([O-])C(=O)c2cc[cH]3->[Ru+2]<-[cH]3c2C1=O 0.000

#16 CC1=C([O-])C(=O)c2c[cH]3->[Ru+]4<-[cH](c2C1=O)[cH]->43 0.000

#17 CC1=C([O-])C(=O)c2c(cc[cH]3->[Ru+2]<-[cH]23)C1=O 0.000

#18 CC1=C([O-])C(=O)c2c(c[cH]3->[Ru+]4<-[cH]2[cH]->43)C1=O 0.000

#19 CC1=C([O-])C(=O)C2=C(C=C[CH]3[Ru+2][CH]23)C1=O 0.000

#20 CC1=C([O-])C(=O)c2c[cH]3->[Ru+2]<-[cH]3cc2C1=O 0.000

#21 CC1=C([O-])C(=O)C2=C(C1=O)[CH]1[CH]3[CH]4[CH]2[Ru+2]134 0.000

#22 CC1=C([O-])C(=O)c2ccc[cH](->[Ru+2])c2C1=O 0.000

#23 CC1=C([O-])C(=O)c2c(ccc[cH]2->[Ru+2])C1=O 0.000

#24 CC1=C([O-])C(=O)c2c[cH](->[Ru+2])ccc2C1=O 0.000

#25 CC1=C([O-])C(=O)c2cc[cH](->[Ru+2])cc2C1=O 0.000

Sequential multi-lig (v2) — 216 candidates

Pred: {"O": 2}