Compare #520 — BiometalDB

{"O": 1}

Ground Truth

0.000

Single-lig

0.000

Sequential

+0.000

Δ Sequential

Single-ligand (v1) — 225 candidates

Pred: C:6(eta)

#2 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.335

#3 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.061

#4 Cc1cc[c]23-c4oc5ccccc5c(=O)c4[O][Ru]<-24<-[cH]1[cH]->43 0.005

#5 Cc1ccc(-c2oc3ccccc3c3=[O]->[Ru+2]<-[O-]c23)cc1 0.004

#6 Cc1ccc2-c3oc4ccccc4c(=O)c3[O][Ru+]<-[cH]2c1 0.002

#7 Cc1ccc(-c2oc3ccccc3c(=O)c2[O-]->[Ru+2])cc1 0.000

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

#9 Cc1ccc(-c2oc3ccccc3c(=O)c2[O-])[cH]2->[Ru+2]<-[cH]12 0.000

#10 Cc1ccc(-c2oc3c(c[cH]4->[Ru+]5<-[cH]3[cH]->54)c(=O)c2[O-])cc1 0.000

#11 Cc1ccc(-c2oc3c(c(=O)c2[O-])[cH]2->[Ru+2]45<-[cH]3[cH]->4[cH]->52)cc1 0.000

#12 Cc1ccc(-c2oc3ccccc3c(=O)c2[O-])[cH](->[Ru+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c1 0.000

#13 Cc1ccc(-c2oc3ccccc3c(=O)c2[O-])c[cH]1->[Ru+2]1<-[cH]2c(C)ccc(C(C)C)[cH]->12 0.000

#14 Cc1ccc2-c3oc4c(cc[cH]5->[Ru+2](<-[cH]2c1)<-[cH]45)c(=O)c3[O-] 0.000

#15 Cc1ccc(-c2oc3c(cc[cH]4->[Ru+2](<-[cH]5cc(C)ccc5C(C)C)<-[cH]34)c(=O)c2[O-])cc1 0.000

#16 Cc1ccc2-c3oc4cc[cH]5->[Ru+2](<-[cH]1c2)<-[cH]5c4c(=O)c3[O-] 0.000

#17 Cc1ccc2-c3oc4cc[cH](->[Ru+2]5<-[cH]1[cH]->52)cc4c(=O)c3[O-] 0.000

#18 Cc1ccc(-c2oc3c[cH]4->[Ru+2](<-[cH]5cc(C)ccc5C(C)C)<-[cH]4cc3c(=O)c2[O-])cc1 0.000

#19 Cc1ccc(-c2oc3cc[cH]4->[Ru+2](<-[cH]5cc(C(C)C)ccc5C)<-[cH]4c3c(=O)c2[O-])cc1 0.000

#20 Cc1ccc2-c3oc4c[cH]5->[Ru+2](<-[cH]2c1)<-[cH]5cc4c(=O)c3[O-] 0.000

#21 Cc1ccc2-c3oc4c(cc[cH]5->[Ru+2](<-[cH]1c2)<-[cH]45)c(=O)c3[O-] 0.000

#22 Cc1ccc(-c2oc3c(ccc[cH]3->[Ru+2])c(=O)c2[O-])cc1 0.000

#23 Cc1ccc(-c2oc3c(cc[cH]4->[Ru+2](<-[cH]5cc(C(C)C)ccc5C)<-[cH]34)c(=O)c2[O-])cc1 0.000

#24 Cc1ccc2-c3oc4c[cH](->[Ru+2]5<-[cH]1[cH]->52)ccc4c(=O)c3[O-] 0.000

#25 Cc1ccc2-c3oc4c[cH]5->[Ru+2](<-[cH]1c2)<-[cH]5cc4c(=O)c3[O-] 0.000

#26 Cc1ccc(-c2oc3c[cH]4->[Ru+2](<-[cH]5cc(C(C)C)ccc5C)<-[cH]4cc3c(=O)c2[O-])cc1 0.000

Sequential multi-lig (v2) — 225 candidates

Pred: {"O": 4}