Compare #348 — BiometalDB

{"N": 3}

Ground Truth

0.000

Single-lig

0.000

Sequential

+0.000

Δ Sequential

Single-ligand (v1) — 270 candidates

Pred: C:6(eta)

#2 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.345

#3 c1ccc(C2=NN(c3nc4ccccc4s3)C([c]34->[Ru+2]5678<-[cH]([cH]->5[cH]->63)[cH]->7[cH]-... 0.000

#4 c1ccc(C2=NN(c3nc4c(cc[cH]5->[Ru+2]<-[cH]45)s3)C(c3ccccc3)C2)cc1 0.000

#5 c1ccc(C2=NN(c3nc4c[cH]5->[Ru+]6<-[cH](c4s3)[cH]->65)C(c3ccccc3)C2)cc1 0.000

#6 c1ccc(C2=NN(c3nc4ccccc4s3)C(c3c[cH]4->[Ru+2]56<-[cH]3[cH]->5[cH]->64)C2)cc1 0.000

#7 c1ccc(C2=NN(c3nc4c(c[cH]5->[Ru+]6<-[cH]4[cH]->65)s3)C(c3ccccc3)C2)cc1 0.000

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

#9 C1=C(C2CC(c3ccccc3)=NN2c2nc3ccccc3s2)[CH]2[CH]3[CH]4[CH]1[Ru+2]243 0.000

#10 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccc(C4=NN(c5nc6ccccc6s5)C(c5ccccc5)C4)cc3)<-[c... 0.000

#11 C1=C(C2=NN(c3nc4ccccc4s3)C(c3ccccc3)C2)[CH]2[CH]3[CH]4[CH]1[Ru+2]243 0.000

#12 C1=C[CH]2[CH]3C=C1C1=NN(c4nc5c(s4)C=C[CH]4[CH]5[Ru+2]234)C(c2ccccc2)C1 0.000

#13 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3ccc(C4=NN(c5nc6ccccc6s5)C(c5ccccc5)C4)c[cH]->2... 0.000

#14 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cccc(C4=NN(c5nc6ccccc6s5)C(c5ccccc5)C4)c3)<-[c... 0.000

#15 c1cc[cH]2->[Ru+2]3<-[cH]4ccc(C5=NN(c6nc7ccccc7s6)C(c2c1)C5)c[cH]->34 0.000

#16 [Ru+2]<-[cH]1cccc(C2CC(c3ccccc3)=NN2c2nc3ccccc3s2)c1 0.000

#17 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccc4nc(N5N=C(c6ccccc6)CC5c5ccccc5)sc4c3)<-[cH]... 0.000

#18 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3ccc4nc(N5N=C(c6ccccc6)CC5c5ccccc5)sc4[cH]->23)... 0.000

#19 [Ru+2]<-[cH]1cccc2sc(N3N=C(c4ccccc4)CC3c3ccccc3)nc21 0.000

#20 C1=C[CH]2[CH]3C(=C1)C1CC(=NN1c1nc4ccccc4s1)C1=C[CH]4[CH](C=C1)[Ru+2]423 0.000

#21 c1ccc(C2=NN3c4nc5cc[cH]6->[Ru+2](<-[cH]7ccccc7C3C2)<-[cH]6c5s4)cc1 0.000

#22 c1ccc(C2CC3c4ccc[cH]5->[Ru+2](<-[cH]6cccc7sc(N2N=3)nc76)<-[cH]45)cc1 0.000

#23 c1ccc(C2CC3c4ccc[cH]5->[Ru+2](<-[cH]6cccc7nc(N2N=3)sc76)<-[cH]45)cc1 0.000

#24 c1ccc(C2=NN3c4nc5cc[cH]6->[Ru+2](<-[cH]7cccc(C3C2)c7)<-[cH]6c5s4)cc1 0.000

#25 C1=C[CH]2[CH]3C(=C1)C1=NN(c4nc5ccccc5s4)C(C1)C1=CC=C[CH]4[CH]1[Ru+2]243 0.000

#26 c1ccc(C2CC3c4cc[cH]5->[Ru+2](<-[cH]6cccc7sc(N2N=3)nc76)<-[cH]5c4)cc1 0.000

#27 c1ccc2sc(N3N=C4c5ccc[cH](->[Ru+2]6<-[cH]7ccc(C3C4)c[cH]->67)c5)nc2c1 0.000

#28 c1ccc(C2=NN3c4nc5c(cc[cH]6->[Ru+2](<-[cH]7ccc(C3C2)cc7)<-[cH]56)s4)cc1 0.000

#29 [Ru+2]<-[cH]1ccc(C2CC(c3ccccc3)=NN2c2nc3ccccc3s2)cc1 0.000

#30 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2cc3nc(N4N=C(c5ccccc5)CC4c4ccccc4)sc3c[cH]->12 0.000

#31 c1ccc2sc(N3N=C4c5cc[cH]6->[Ru+2](<-[cH]7ccc(C3C4)cc7)<-[cH]6c5)nc2c1 0.000

Sequential multi-lig (v2) — 270 candidates