Compare #613 — BiometalDB

{"N": 5}

Ground Truth

0.000

Single-lig

0.000

Sequential

+0.000

Δ Sequential

Single-ligand (v1) — 207 candidates

Pred: {"N": 3}

#2 Cc1cc(C)[n]2->[Ru+2]3<-[n]4ccccc4C(O)C(n12)n1c(C)cc(C)[n]->31 0.431

#3 Cc1cc(C)[n]2->[Ru+2]3<-[OH]C(c4ccccn4)C(n12)n1c(C)cc(C)[n]->31 0.028

#4 Cc1cc(C)n(C2C(O)c3cccc[n]3->[Ru+2]<-[n]3c(C)cc(C)n32)n1 0.024

#5 Cc1cc(C)n(C(C(O)c2cccc[n]2->[Ru+2])n2nc(C)cc2C)n1 0.001

#6 Cc1cc(C)n(C(C(O)c2ccccn2)n2c(C)cc(C)[n]2->[Ru+2])n1 0.000

#7 Cc1cc(C)n(C(C(O)[c]23->[Ru+2]<-[n]2cccc3)n2nc(C)cc2C)n1 0.000

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

#9 Cc1cc(C)n(C(C(O)c2ncc[cH]3->[Ru+2]<-[cH]23)n2nc(C)cc2C)n1 0.000

#10 Cc1cc(C)n(C(C(O)c2nc[cH]3->[Ru+]4<-[cH]2[cH]->43)n2nc(C)cc2C)n1 0.000

#11 Cc1cc(C)n(C(C(O)c2c[cH]3->[Ru+2]<-[cH]3cn2)n2nc(C)cc2C)n1 0.000

#12 Cc1cc(C)n(C(C(O)c2ccccn2)n2nc(C)[cH](->[Ru+2]3<-[cH]4c(C)ccc(C(C)C)[cH]->34)c2C)... 0.000

#13 Cc1cc(C)n(C(C(O)c2nccc[cH]2->[Ru+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)n2nc(C)cc2C)n1 0.000

#14 Cc1cc(C)n(C2C(O)c3ncc[cH]4->[Ru+2](<-[cH]5c(C)nn2c5C)<-[cH]34)n1 0.000

#15 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3ccnc(C(O)C(n4nc(C)cc4C)n4nc(C)cc4C)[cH]->23)c1 0.000

#16 Cc1cc(C)n(C2C(O)c3c[cH]4->[Ru+2](<-[cH]5c(C)nn2c5C)<-[cH]4cn3)n1 0.000

#17 Cc1cc(C)n(C(C(O)c2nccc[cH]2->[Ru+2])n2nc(C)cc2C)n1 0.000

#18 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3cnc(C(O)C(n4nc(C)cc4C)n4nc(C)cc4C)c[cH]->23)c1 0.000

#19 Cc1cc(C)n(C(C(O)c2ncc[cH]3->[Ru+2](<-[cH]4cc(C(C)C)ccc4C)<-[cH]23)n2nc(C)cc2C)n1 0.000

#20 Cc1cc(C)n(C(C(O)c2cc[cH](->[Ru+2]3<-[cH]4c(C)ccc(C(C)C)[cH]->34)cn2)n2nc(C)cc2C)... 0.000

#21 Cc1cc(C)n(C(C(O)c2c[cH](->[Ru+2]3<-[cH]4c(C)ccc(C(C)C)[cH]->34)ccn2)n2nc(C)cc2C)... 0.000

#22 Cc1cc(C)n(C(C(O)c2c[cH]3->[Ru+2](<-[cH]4cc(C(C)C)ccc4C)<-[cH]3cn2)n2nc(C)cc2C)n1 0.000

#23 Cc1cc(C)n(C(C(O)c2ccccn2)n2nc(C)[cH](->[Ru+2])c2C)n1 0.000

#24 Cc1cc(C)n(C(C(O)c2c[cH](->[Ru+2])ccn2)n2nc(C)cc2C)n1 0.000

Sequential multi-lig (v2) — 207 candidates

Pred: {"N": 6}