Compare #506 — BiometalDB

{"O": 1}

Ground Truth

0.000

Single-lig

0.000

Sequential

+0.000

Δ Sequential

Single-ligand (v1) — 225 candidates

Pred: {"O": 1}

#2 CC1=C([O][Ru+]23456<-[cH]7[cH]->2[cH]->3[c]->4(C)[cH]->5[cH]->67)C(=O)c2ccccc2C1... 0.165

#3 Cc1ccc[cH]2->[Ru+2]<-[cH]12 0.079

#4 Cc1cc[cH]2->[Ru+]3<-[cH]1[cH]->32 0.058

#5 Cc1c[cH]2->[Ru+]3<-[cH](c1)[cH]->32 0.041

#6 Cc1c[cH]2->[Ru+2]34<-[cH]1[cH]->3[cH]->42 0.012

#7 CC1=CC=C[CH]2[Ru+2][CH]12 0.008

#8 CC1=C[CH]2[CH]3[CH]4[CH]1[Ru+2]234 0.004

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

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

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

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

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

#15 Cc1cccc[cH]1->[Ru+2] 0.000

#16 CC1=C([O-])C(=O)c2ccc[cH](->[Ru+2]3<-[cH]4cccc(C)[cH]->34)c2C1=O 0.000

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

#18 CC1=C([O-])C(=O)c2ccc[cH](->[Ru+2]3<-[cH]4ccc(C)c[cH]->34)c2C1=O 0.000

#19 CC1=C([O-])C(=O)c2c(cc[cH]3->[Ru+2](<-[cH]4cccc(C)c4)<-[cH]23)C1=O 0.000

#20 CC1=C([O-])C(=O)c2cc[cH]3->[Ru+2](<-[cH]4cccc(C)c4)<-[cH]3c2C1=O 0.000

#21 CC1=CC=C[CH]2[CH]1[Ru+2]21[CH]2C=CC3=C(C(=O)C(C)=C([O-])C3=O)[CH]21 0.000

#22 CC1=CC=C[CH]2[CH]1[Ru+2]21[CH]2C=CC3=C(C(=O)C([O-])=C(C)C3=O)[CH]21 0.000

#23 CC1=C([O-])C(=O)c2cc[cH]3->[Ru+2](<-[cH]4ccccc4C)<-[cH]3c2C1=O 0.000

#24 CC1=C([O-])C(=O)c2c(cc[cH]3->[Ru+2](<-[cH]4ccc(C)cc4)<-[cH]23)C1=O 0.000

#25 CC1=C([O-])C(=O)c2c[cH]3->[Ru+2](<-[cH]4ccccc4C)<-[cH]3cc2C1=O 0.000

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

Sequential multi-lig (v2) — 225 candidates

Pred: {"O": 4}