Compare #3462 — BiometalDB

{"N": 2}

Ground Truth

0.000

Single-lig

0.000

Sequential

+0.000

Δ Sequential

Single-ligand (v1) — 243 candidates

Pred: {"N": 2}

#2 Clc1ccc2sc3-c4cccc(Br)[n]4->[Ru+2]<-[n]3c2c1 0.997

#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.324

#4 Clc1ccc2c(c1)nc1-c3cccc(Br)[n]3->[Ru+2]<-[s]12 0.008

#5 Clc1ccc2sc(-c3nc(Br)c[cH]4->[Ru+2]<-[cH]34)nc2c1 0.000

#6 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]12)<-[n]1c(-c2cccc(Br)n2)sc2ccc(Cl)cc21 0.000

#7 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]12)<-[n]1c(Br)cccc1-c1nc2cc(Cl)ccc2s1 0.000

#8 Clc1cc2nc3-c4cccc(Br)[n]4->[Ru+2]4<-[cH]1[cH]->4c2s3 0.000

#9 Clc1ccc2sc(-c3nc(Br)[cH]4->[Ru+]5<-[cH]3[cH]->54)nc2c1 0.000

#10 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3c(Cl)ccc4sc(-c5cccc(Br)n5)nc43)<-[cH]12 0.000

#11 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3c(Cl)cc4nc(-c5cccc(Br)n5)sc4[cH]->23)c1 0.000

#12 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3cc(-c4nc5cc(Cl)ccc5s4)nc(Br)[cH]->23)c1 0.000

#13 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccc(-c4nc5cc(Cl)ccc5s4)nc3Br)<-[cH]12 0.000

#14 Clc1ccc2sc3-c4c[cH]5->[Ru+2](<-[cH]1c2n3)<-[cH]5c(Br)n4 0.000

#15 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cc4sc(-c5cccc(Br)n5)nc4cc3Cl)<-[cH]12 0.000

#16 Clc1ccc2sc(-c3nc(Br)cc[cH]3->[Ru+2])nc2c1 0.000

#17 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2c(Cl)cc3nc(-c4cccc(Br)n4)sc3[cH]->12 0.000

#18 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3cc(Br)nc(-c4nc5cc(Cl)ccc5s4)[cH]->23)c1 0.000

#19 Clc1cc2nc3-c4nc(Br)c[cH]5->[Ru+2](<-[cH](c1)c2s3)<-[cH]45 0.000

#20 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cc(Br)nc(-c4nc5cc(Cl)ccc5s4)c3)<-[cH]12 0.000

#21 Clc1cc2nc(-c3cccc(Br)n3)sc2[cH](->[Ru+2])c1 0.000

#22 Clc1cc2nc3-c4c[cH]5->[Ru+2](<-[cH]1cc2s3)<-[cH]5c(Br)n4 0.000

#23 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccc(Br)nc3-c3nc4cc(Cl)ccc4s3)<-[cH]12 0.000

#24 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2cc(Br)nc(-c3nc4cc(Cl)ccc4s3)[cH]->12 0.000

#25 Clc1ccc2sc(-c3cccc(Br)n3)nc2[cH]1->[Ru+2] 0.000

#26 Clc1cc2nc3-c4c[cH](->[Ru+2]5<-[cH]1[cH]->5c2s3)cc(Br)n4 0.000

#27 Clc1cc2nc3-c4nc(Br)cc[cH]4->[Ru+2]4<-[cH]1[cH]->4c2s3 0.000

#28 Clc1cc2nc3-c4nc(Br)c[cH]5->[Ru+2](<-[cH]1cc2s3)<-[cH]45 0.000

Sequential multi-lig (v2) — 243 candidates