Compare #539 — BiometalDB

{"N": 3}

Ground Truth

0.000

Single-lig

0.000

Sequential

+0.000

Δ Sequential

Single-ligand (v1) — 198 candidates

Pred: C:6(eta)

#2 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.388

#3 Cc1cc(=O)n2-c3cccc[n]3->[Ru+2]<-[n-]12 0.108

#4 Cc1cc(=O)n(-c2ccccn2)[n]1[Ru+] 0.026

#5 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000

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

#7 Cc1cc(=O)n(-c2cccc[n]2->[Ru+2])[n-]1 0.000

#8 Cc1cc(=O)n(-c2ncc[cH]3->[Ru+2]<-[cH]23)[n-]1 0.000

#9 Cc1cc(=O)n(-c2cccc[n]2->[Ru+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)[n-]1 0.000

#10 Cc1cc(=O)n(-c2c[cH]3->[Ru+2]<-[cH]3cn2)[n-]1 0.000

#11 Cc1cc(=O)n(-c2nc[cH]3->[Ru+]4<-[cH]2[cH]->43)[n-]1 0.000

#12 Cc1cc(=O)n(C2=C[CH]3[Ru+2][CH]3C=N2)[n-]1 0.000

#13 Cc1[n-]n(-c2ccccn2)c(=O)[cH]1->[Ru+2]1<-[cH]2c(C)ccc(C(C)C)[cH]->12 0.000

#14 Cc1[n-]n2-c3c[cH]4->[Ru+2](<-[cH]1c2=O)<-[cH]4cn3 0.000

#15 Cc1cc(=O)n(-c2cc[cH](->[Ru+2]3<-[cH]4c(C)ccc(C(C)C)[cH]->34)cn2)[n-]1 0.000

#16 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3ccnc(-n4[n-]c(C)cc4=O)[cH]->23)c1 0.000

#17 Cc1cc(=O)n(-c2nccc[cH]2->[Ru+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)[n-]1 0.000

#18 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3cnc(-n4[n-]c(C)cc4=O)c[cH]->23)c1 0.000

#19 Cc1cc(=O)n(-c2ncc[cH]3->[Ru+2](<-[cH]4cc(C(C)C)ccc4C)<-[cH]23)[n-]1 0.000

#20 Cc1cc(=O)n(-c2c[cH](->[Ru+2]3<-[cH]4c(C)ccc(C(C)C)[cH]->34)ccn2)[n-]1 0.000

#21 Cc1cc(=O)n(-c2c[cH]3->[Ru+2](<-[cH]4cc(C(C)C)ccc4C)<-[cH]3cn2)[n-]1 0.000

#22 Cc1cc(=O)n(-c2nccc[cH]2->[Ru+2])[n-]1 0.000

#23 Cc1cc(=O)n(-c2c[cH](->[Ru+2])ccn2)[n-]1 0.000

Sequential multi-lig (v2) — 198 candidates

Pred: {"N": 4}