Compare #3122 — BiometalDB

{"O": 1, "N": 2}

Ground Truth

0.000

Single-lig

0.000

Sequential

+0.000

Δ Sequential

Single-ligand (v1) — 216 candidates

Pred: C:6(eta)

#2 [cH]12->[Ru+2]3456<-[cH]1[cH]->3[cH]->4[cH]->5[cH]->62 0.543

#3 COc1ccc(C2[O][Ru+]<-[N]=2N=Cc2ccc(-c3ccccc3)cc2)cc1 0.267

#4 c1c[cH]2->[Ru+2]34<-[cH]1[cH]->3[cH]->42 0.176

#5 COc1ccc(C(=NN=Cc2ccc(-c3ccccc3)cc2)[O][Ru+])cc1 0.000

#6 COc1ccc(C([O-])=NN=Cc2ccc(C3=C[CH]4[Ru+2][CH]4C=C3)cc2)cc1 0.000

#7 COc1ccc(C([O-])=NN=Cc2ccc(-c3cc[cH]4->[Ru+2]<-[cH]4c3)cc2)cc1 0.000

#8 COc1ccc(C([O-])=NN=Cc2ccc(C3=C[CH]4[CH](C=C3)[Ru+2]43[CH]4C=CC=C[CH]43)cc2)cc1 0.000

#9 COc1ccc(C([O-])=NN=Cc2ccc(C3=CC=C[CH]4[CH]3[Ru+2]43[CH]4C=CC=C[CH]43)cc2)cc1 0.000

#10 COc1ccc2C([O-])=NN=Cc3ccc(-c4cccc[cH]4->[Ru+2]4<-[cH]1[cH]->42)cc3 0.000

#11 COc1ccc(C([O-])=NN=Cc2ccc(-c3ccc[cH]4->[Ru+2](<-[cH]5ccccc5)<-[cH]34)cc2)cc1 0.000

#12 COc1ccc(C([O-])=NN=Cc2ccc3-c4ccc[cH]5->[Ru+2](<-[cH]3c2)<-[cH]45)cc1 0.000

#13 COc1ccc2C([O-])=NN=Cc3ccc(-c4ccccc4)[cH]4->[Ru+2](<-[cH]1c2)<-[cH]34 0.000

#14 COc1ccc(C([O-])=NN=Cc2ccc(-c3cc[cH]4->[Ru+2](<-[cH]5ccccc5)<-[cH]4c3)cc2)cc1 0.000

#15 COc1ccc(C([O-])=NN=Cc2ccc(-c3ccccc3)cc2)c[cH]1->[Ru+2] 0.000

#16 COc1ccc2C([O-])=NN=Cc3ccc(-c4ccc[cH](->[Ru+2]5<-[cH]1[cH]->52)c4)cc3 0.000

#17 COc1ccc(C([O-])=NN=Cc2ccc(-c3ccccc3)cc2)[cH]2->[Ru+2](<-[cH]3ccccc3)<-[cH]12 0.000

#18 COc1ccc2C([O-])=NN=Cc3ccc(-c4ccc[cH]5->[Ru+2](<-[cH]2c1)<-[cH]45)cc3 0.000

#19 COc1ccc2C([O-])=NN=Cc3ccc(-c4cc[cH](->[Ru+2]5<-[cH]1[cH]->52)cc4)cc3 0.000

#20 COc1ccc(C([O-])=NN=Cc2ccc(-c3ccccc3)[cH]3->[Ru+2](<-[cH]4ccccc4)<-[cH]23)cc1 0.000

#21 COc1ccc(C([O-])=NN=Cc2ccc(-c3ccccc3)cc2)[cH](->[Ru+2]2<-[cH]3cccc[cH]->23)c1 0.000

#22 COc1ccc(C([O-])=NN=Cc2ccc3-c4cc[cH]5->[Ru+2](<-[cH]2c3)<-[cH]5c4)cc1 0.000

#23 COc1ccc(C([O-])=NN=Cc2ccc3-c4ccc[cH](->[Ru+2]5<-[cH]2[cH]->53)c4)cc1 0.000

#24 COc1ccc(C([O-])=NN=Cc2ccc3-c4ccc[cH]5->[Ru+2](<-[cH]2c3)<-[cH]45)cc1 0.000

#25 COc1ccc2C([O-])=NN=Cc3ccc(-c4ccccc4)c[cH]3->[Ru+2]3<-[cH]1[cH]->32 0.000

Sequential multi-lig (v2) — 216 candidates

Pred: {"O": 2}