Compare #504 — BiometalDB

{"N": 2}

Ground Truth

0.333

Single-lig

0.000

Sequential

-0.333

Δ Sequential

Single-ligand (v1) — 216 candidates

Pred: {"N": 1}

#2 [Ru+2]<-[n]1c[nH]c2ccccc21 0.998

#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.405

#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.100

#5 c1c2[nH]c[n]3->[Ru+2]4<-[cH]1[cH]->4cc23 0.007

#6 C1=C[CH]2[Ru+2][CH]2c2nc[nH]c21 0.000

#7 c1nc2c(cc[cH]3->[Ru+2]<-[cH]23)[nH]1 0.000

#8 C1=C[CH]2[Ru+2][CH]2c2[nH]cnc21 0.000

#9 c1nc2cc[cH]3->[Ru+2]<-[cH]3c2[nH]1 0.000

#10 c1nc2c([nH]1)[cH]1->[Ru+2]34<-[cH]2[cH]->3[cH]->41 0.000

#11 c1nc2c([nH]1)[CH]1[CH]3[CH]4[CH]2[Ru+2]143 0.000

#12 c1nc2c[cH]3->[Ru+]4<-[cH](c2[nH]1)[cH]->43 0.000

#13 c1nc2c(c[cH]3->[Ru+]4<-[cH]2[cH]->43)[nH]1 0.000

#14 c1nc2c[cH]3->[Ru+2]<-[cH]3cc2[nH]1 0.000

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

#16 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cccc4[nH]cnc43)<-[cH]12 0.000

#17 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cccc4nc[nH]c43)<-[cH]12 0.000

#18 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3ccc4[nH]cnc4[cH]->23)c1 0.000

#19 [Ru+2]<-[cH]1cccc2[nH]cnc21 0.000

#20 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccc4nc[nH]c4c3)<-[cH]12 0.000

#21 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2ccc3[nH]cnc3[cH]->12 0.000

#22 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3cc4nc[nH]c4c[cH]->23)c1 0.000

#23 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccc4[nH]cnc4c3)<-[cH]12 0.000

#24 [Ru+2]<-[cH]1cccc2nc[nH]c21 0.000

#25 [Ru+2]<-[cH]1ccc2[nH]cnc2c1 0.000

Sequential multi-lig (v2) — 216 candidates