Compare #472 — BiometalDB

{"N": 4}

Ground Truth

0.000

Single-lig

0.000

Sequential

+0.000

Δ Sequential

Single-ligand (v1) — 243 candidates

Pred: {"N": 2}

#2 c1cc[n]2->[Ru+2]<-[n]3ccccc3-c2c1 1.000

#3 c1cc[n]2->[Ru+2]3(<-[n]4ccccc4-c2c1)<-[n]1ccccc1-c1cccc[n]->31 0.324

#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.322

#5 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.073

#6 c1ccc(-c2cccc[n]2->[Ru+2]2<-[n]3ccccc3-c3cccc[n]->23)nc1 0.009

#7 c1ccc(-c2ncc[cH]3->[Ru+2]<-[cH]23)nc1 0.000

#8 c1ccc(-c2cccc[n]2->[Ru+2]<-[n]2ccccc2-c2ccccn2)nc1 0.000

#9 c1ccc(-c2nc[cH]3->[Ru+]4<-[cH]2[cH]->43)nc1 0.000

#10 c1cc[n]2->[Ru+2]3<-[cH]4cnc(-c2c1)c[cH]->34 0.000

#11 C1=NC(c2ccccn2)=C[CH]2[Ru+2][CH]12 0.000

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

#13 c1ccc(-c2c[cH]3->[Ru+2](<-[cH]3cn2)<-[n]2ccccc2-c2ccccn2)nc1 0.000

#14 c1ccc(-c2ncc[cH]3->[Ru+2](<-[cH]23)<-[n]2ccccc2-c2ccccn2)nc1 0.000

#15 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccc(-c4ccccn4)nc3)<-[cH]12 0.000

#16 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3ccnc(-c4ccccn4)[cH]->23)c1 0.000

#17 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2cnc(-c3ccccn3)c[cH]->12 0.000

#18 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccnc(-c4ccccn4)c3)<-[cH]12 0.000

#19 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cccnc3-c3ccccn3)<-[cH]12 0.000

#20 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2ccnc(-c3ccccn3)[cH]->12 0.000

#21 c1cnc2-c3ncc[cH]4->[Ru+2](<-[cH]2c1)<-[cH]34 0.000

#22 c1c[cH]2->[Ru+2]3<-[cH]4ccc(-c(n1)[cH]->32)nc4 0.000

#23 c1c[cH]2->[Ru+2]3<-[cH]4cnc(-c(c2)n1)c[cH]->34 0.000

#24 c1cnc2-c3c[cH]4->[Ru+2](<-[cH]2c1)<-[cH]4cn3 0.000

#25 [Ru+2]<-[cH]1ccnc(-c2ccccn2)c1 0.000

#26 c1ccc(-c2cc[cH](->[Ru+2]3<-[cH]4ccnc(-c5ccccn5)[cH]->34)cn2)nc1 0.000

#27 c1ccc(-c2c[cH](->[Ru+2]3<-[cH]4cnc(-c5ccccn5)c[cH]->34)ccn2)nc1 0.000

#28 c1ccc(-c2c[cH]3->[Ru+2](<-[cH]4cccnc4-c4ccccn4)<-[cH]3cn2)nc1 0.000

Sequential multi-lig (v2) — 243 candidates

Pred: {"N": 6}