Compare #789 — BiometalDB

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

Ground Truth

0.000

Single-lig

0.000

Sequential

+0.000

Δ Sequential

Single-ligand (v1) — 225 candidates

Pred: C:6(eta)

#2 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.078

#3 Cc1ccc(S(=O)(=O)/N=C(/Nc2ccccc2)[SH-]->[Ru+2])cc1 0.001

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

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

#6 Cc1ccc(S(=O)(/N=C(\[S-])Nc2ccccc2)=[O]->[Ru+2])cc1 0.000

#7 Cc1ccc(S(=O)(=O)/N=C(\[S-])[NH](->[Ru+2])c2ccccc2)cc1 0.000

#8 Cc1ccc(S(=O)(=O)/N=C(\[S-])Nc2ccccc2)[cH]2->[Ru+2]<-[cH]12 0.000

#9 Cc1ccc(S(=O)(=O)/N=C(\[S-])Nc2ccc[cH]3->[Ru+2]<-[cH]23)cc1 0.000

#10 Cc1ccc(S(=O)(=O)/N=C(\[S-])Nc2cc[cH]3->[Ru+]4<-[cH]2[cH]->43)cc1 0.000

#11 Cc1ccc(S(=O)(=O)/N=C(\[S-])Nc2c[cH]3->[Ru+2]45<-[cH]2[cH]->4[cH]->53)cc1 0.000

#12 Cc1ccc(S(=O)(=O)/N=C(\[S-])Nc2ccccc2)[cH](->[Ru+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23... 0.000

#13 Cc1ccc(S(=O)(=O)/N=C(\[S-])Nc2cccc[cH]2->[Ru+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)cc... 0.000

#14 Cc1ccc2S(=O)(=O)/N=C(\[S-])Nc3ccc[cH]4->[Ru+2](<-[cH]2c1)<-[cH]34 0.000

#15 Cc1ccc2S(=O)(=O)/N=C(\[S-])Nc3cc[cH]4->[Ru+2](<-[cH]2c1)<-[cH]4c3 0.000

#16 Cc1ccc(S(=O)(=O)/N=C(\[S-])Nc2ccc[cH](->[Ru+2]3<-[cH]4c(C)ccc(C(C)C)[cH]->34)c2)... 0.000

#17 Cc1ccc(S(=O)(=O)/N=C(\[S-])NC2=C[CH]3[CH]4[CH]5[CH]2[Ru+2]345)cc1 0.000

#18 Cc1ccc2S(=O)(=O)/N=C(\[S-])Nc3ccc[cH](->[Ru+2]4<-[cH]1[cH]->42)c3 0.000

#19 Cc1ccc(S(=O)(=O)/N=C(\[S-])Nc2ccc[cH]3->[Ru+2](<-[cH]4cc(C)ccc4C(C)C)<-[cH]23)cc... 0.000

#20 Cc1ccc(S(=O)(=O)/N=C(\[S-])Nc2ccccc2)[cH](->[Ru+2])c1 0.000

#21 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2c(C)ccc(S(=O)(=O)/N=C(\[S-])Nc3ccccc3)[cH]->1... 0.000

#22 Cc1ccc(S(=O)(=O)/N=C(\[S-])Nc2cc[cH](->[Ru+2]3<-[cH]4c(C)ccc(C(C)C)[cH]->34)cc2)... 0.000

#23 Cc1ccc2S(=O)(=O)/N=C(\[S-])Nc3cc[cH]4->[Ru+2](<-[cH]1c2)<-[cH]4c3 0.000

#24 Cc1ccc2S(=O)(=O)/N=C(\[S-])Nc3cc[cH](->[Ru+2]4<-[cH]1[cH]->42)cc3 0.000

#25 Cc1ccc(S(=O)(=O)/N=C(\[S-])Nc2cc[cH]3->[Ru+2](<-[cH]4cc(C(C)C)ccc4C)<-[cH]3c2)cc... 0.000

#26 Cc1ccc(S(=O)(=O)/N=C(\[S-])Nc2cccc[cH]2->[Ru+2])cc1 0.000

Sequential multi-lig (v2) — 225 candidates

Pred: {"S": 1}