Compare #64 — BiometalDB

{"N": 6}

Ground Truth

0.000

Single-lig

0.000

Sequential

+0.000

Δ Sequential

Single-ligand (v1) — 157 candidates

Pred: {"N": 1}

#2 Cc1c(C)c(C)c(C[n+]2ccn3-c4cccc[n]4->[Ru+2]<-[c-]32)c(C)c1C 0.657

#2 Cc1c(C)c(C)c(C[n+]2ccn3-c4cccc[n]4->[Ru+2]<-[c-]32)c(C)c1C 0.650

#3 CC#[N]->[Ru+2] 0.587

#3 Cc1c(C)c(C)c(Cn2cc[n+]3-c4cccc[n]4->[Ru+2]<-[c-]23)c(C)c1C 0.200

#4 Cc1c(C)c(C)c(Cn2cc[n+]3-c4cccc[n]4->[Ru+2]<-[c-]23)c(C)c1C 0.215

#4 Cc1c(C)c(C)c(Cn2cc[n+](-c3ccccn3)[c-]2->[Ru+2])c(C)c1C 0.020

#5 Cc1c(C)c(C)c(Cn2cc[n+](-c3ccccn3)[c-]2->[Ru+2])c(C)c1C 0.016

#5 Cc1c(C)c(C)c(C[n+]2[c-]n(-c3cccc[n]3->[Ru+2])cc2)c(C)c1C 0.000

#6 CC#[N]->[Ru+2]<-[N]#CC 0.013

#6 Cc1c(C)[c]2(C)->[Ru+]3<-[c](C)(c1C[n+]1[c-]n(-c4ccccn4)cc1)[c]->32C 0.000

#7 C[C]1=[N][Ru+2]1 0.010

#7 Cc1c(C[n+]2[c-]n(-c3ccccn3)cc2)c(C)[c]2(C)->[Ru+]3<-[c]1(C)[c]->32C 0.000

#8 Cc1c(C)c(C)c(C[n+]2[c-]n(-c3cccc[n]3->[Ru+2])cc2)c(C)c1C 0.000

#8 Cc1c(C)c(C)c(C[n+]2[c-]n(-c3ncc[cH]4->[Ru+2]<-[cH]34)cc2)c(C)c1C 0.000

#9 Cc1c(C)[c]2(C)->[Ru+]3<-[c](C)(c1C[n+]1[c-]n(-c4ccccn4)cc1)[c]->32C 0.000

#9 Cc1c(C)c(C)c(C[n+]2[c-]n(-c3nc[cH]4->[Ru+]5<-[cH]3[cH]->54)cc2)c(C)c1C 0.000

#10 Cc1c(C[n+]2[c-]n(-c3ccccn3)cc2)c(C)[c]2(C)->[Ru+]3<-[c]1(C)[c]->32C 0.000

#10 Cc1c(C)c(C)c(C[n+]2[c-]n(-c3c[cH]4->[Ru+2]<-[cH]4cn3)cc2)c(C)c1C 0.000

#11 Cc1c(C)c(C)c(C[n+]2[c-]n(-c3ncc[cH]4->[Ru+2]<-[cH]34)cc2)c(C)c1C 0.000

#11 Cc1c(C)c(C)c(C[n+]2[c-]n(C3=C[CH]4[Ru+2][CH]4C=N3)cc2)c(C)c1C 0.000

#12 Cc1c(C)c(C)c(C[n+]2[c-]n(-c3nc[cH]4->[Ru+]5<-[cH]3[cH]->54)cc2)c(C)c1C 0.000

#12 Cc1c(C)c(C)c(C[n+]2[c-]n(-c3cc[cH](->[Ru+2])cn3)cc2)c(C)c1C 0.000

#13 Cc1c(C)c(C)c(C[n+]2[c-]n(-c3c[cH]4->[Ru+2]<-[cH]4cn3)cc2)c(C)c1C 0.000

#13 Cc1c(C)c(C)c(C[n+]2[c-]n(-c3nccc[cH]3->[Ru+2])cc2)c(C)c1C 0.000

#14 Cc1c(C)c(C)c(C[n+]2[c-]n(C3=C[CH]4[Ru+2][CH]4C=N3)cc2)c(C)c1C 0.000

#14 Cc1c(C)c(C)c(C[n+]2[c-]n(-c3c[cH](->[Ru+2])ccn3)cc2)c(C)c1C 0.000

#15 Cc1c(C)c(C)c(C[n+]2[c-]n(-c3cc[cH](->[Ru+2])cn3)cc2)c(C)c1C 0.000

#16 Cc1c(C)c(C)c(C[n+]2[c-]n(-c3nccc[cH]3->[Ru+2])cc2)c(C)c1C 0.000

#17 Cc1c(C)c(C)c(C[n+]2[c-]n(-c3c[cH](->[Ru+2])ccn3)cc2)c(C)c1C 0.000

Sequential multi-lig (v2) — 157 candidates

Pred: {"N": 15}