Compare #403 — BiometalDB

{"N": 2}

Ground Truth

0.000

Single-lig

0.000

Sequential

+0.000

Δ Sequential

Single-ligand (v1) — 189 candidates

Pred: {"N": 2}

#2 O=C1C(=O)c2ccc[n]3->[Ru+2]<-[n]4cccc1c4-c23 0.995

#3 c1cnc2c(c1)C1=[O]->[Ru+2]<-[O]=C1c1cccnc1-2 0.317

#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.242

#5 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.051

#6 O=C1C(=O)c2ccc[n](->[Ru+2])c2-c2ncccc21 0.015

#7 O=C1c2cccnc2-c2ncccc2[C]12[O][Ru+2]2 0.000

#8 O=C1C(=O)c2c3nc[cH]4->[Ru+2](<-[cH]24)<-[n]2cccc1c2-3 0.000

#9 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]12)<-[n]1cccc2c1-c1ncccc1C(=O)C2=O 0.000

#10 O=C1C(=[O]->[Ru+2])c2cccnc2-c2ncccc21 0.000

#11 O=C1C(=O)c2c(nc[cH]3->[Ru+2]<-[cH]23)-c2ncccc21 0.000

#12 O=C1C(=O)c2cccnc2C2=C1[CH]1[Ru+2][CH]1C=N2 0.000

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

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

#15 O=C1C(=O)c2c3nc[cH]4->[Ru+2](<-[cH]5ccnc-3c51)<-[cH]24 0.000

#16 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccnc4c3C(=O)C(=O)c3cccnc3-4)<-[cH]12 0.000

#17 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3cnc4c([cH]->23)C(=O)C(=O)c2cccnc2-4)c1 0.000

#18 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2cnc3c([cH]->12)C(=O)C(=O)c1cccnc1-3 0.000

#19 O=C1C(=O)c2c3nc[cH]4->[Ru+2](<-[cH]5cnc-3c1c5)<-[cH]24 0.000

#20 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cnc4c(c3)C(=O)C(=O)c3cccnc3-4)<-[cH]12 0.000

#21 O=C1C(=O)c2c[cH](->[Ru+2])cnc2-c2ncccc21 0.000

#22 O=C1C(=O)c2c(ncc[cH]2->[Ru+2])-c2ncccc21 0.000

Sequential multi-lig (v2) — 189 candidates