Compare #716 — BiometalDB

{"N": 4}

Ground Truth

0.000

Single-lig

0.000

Sequential

+0.000

Δ Sequential

Single-ligand (v1) — 180 candidates

Pred: {"N": 2}

#2 Cc1cc(C)[n]2->[Ru+2]<-[n]3nc(Cl)ccc3-n12 0.995

#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.322

#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.058

#5 Cc1cc(C)n(-c2ccc(Cl)[n](->[Ru+2])n2)n1 0.050

#6 Cc1cc(C)[n]2->[Ru+2]<-[n]3nc(-n12)ccc3Cl 0.017

#7 Cc1cc(C)n(-c2ccc(Cl)n[n]2->[Ru+2])n1 0.001

#8 Cc1cc(C)[n](->[Ru+2])n1-c1ccc(Cl)nn1 0.001

#9 Cc1cc(C)n(-c2ccc(Cl)[n]3->[Ru+2]<-[n]23)n1 0.000

#10 Cc1cc(C)n(-c2nnc(Cl)[cH]3->[Ru+2]<-[cH]23)n1 0.000

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

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

#13 Cc1nn(-c2ccc(Cl)nn2)c(C)[cH]1->[Ru+2]1<-[cH]2c(C)ccc(C(C)C)[cH]->12 0.000

#14 Cc1nn2-c3nnc(Cl)[cH]4->[Ru+2](<-[cH]1c2C)<-[cH]34 0.000

#15 Cc1nn(-c2ccc(Cl)nn2)c(C)[cH]1->[Ru+2] 0.000

#16 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3c(Cl)nnc(-n4nc(C)cc4C)[cH]->23)c1 0.000

#17 Cc1cc(C)n(-c2nnc(Cl)c[cH]2->[Ru+2])n1 0.000

#18 Cc1cc(C)n(-c2nnc(Cl)c[cH]2->[Ru+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)n1 0.000

#19 Cc1cc(C)n(-c2c[cH](->[Ru+2]3<-[cH]4c(C)ccc(C(C)C)[cH]->34)c(Cl)nn2)n1 0.000

#20 Cc1cc(C)n(-c2nnc(Cl)[cH]3->[Ru+2](<-[cH]4cc(C(C)C)ccc4C)<-[cH]23)n1 0.000

#21 Cc1cc(C)n(-c2c[cH](->[Ru+2])c(Cl)nn2)n1 0.000

Sequential multi-lig (v2) — 180 candidates

Pred: {"N": 4}