Compare #857 — BiometalDB

{"P": 1, "N": 1}

Ground Truth

0.000

Single-lig

0.000

Sequential

+0.000

Δ Sequential

Single-ligand (v1) — 198 candidates

Pred: {"N": 1}

#2 Cc1ccc[n](->[Ru+2])c1 1.000

#3 CC(C)(C)c1cc(C(C)(C)C)cc([P](->[Ru+2])(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c2cc(C(C)(C)... 0.993

#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.486

#5 Cc1ccc[n](->[Ru+2]<-[P](c2cc(C(C)(C)C)cc(C(C)(C)C)c2)(c2cc(C(C)(C)C)cc(C(C)(C)C)... 0.132

#6 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.108

#7 Cc1ccc[n](->[Ru+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c1 0.009

#8 Cc1cnc[cH]2->[Ru+2]<-[cH]12 0.000

#9 CC1=CN=C[CH]2[Ru+2][CH]12 0.000

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

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

#12 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3c(C(C)(C)C)cc(P(c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c... 0.000

#13 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3cncc(C)[cH]->23)c1 0.000

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

#15 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3c(P(c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c4cc(C(C)(C)C... 0.000

#16 Cc1cncc[cH]1->[Ru+2]1<-[cH]2c(C)ccc(C(C)C)[cH]->12 0.000

#17 Cc1cnc[cH](->[Ru+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c1 0.000

#18 Cc1cnc[cH](->[Ru+2])c1 0.000

#19 CC(C)(C)c1cc(P(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c2cc(C(C)(C)C)cc(C(C)(C)C)[cH]2->[Ru... 0.000

#20 Cc1cnc[cH]2->[Ru+2](<-[cH]3c(C(C)(C)C)cc(P(c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c4cc(C(C... 0.000

#21 CC(C)(C)c1cc(P(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c2cc(C(C)(C)C)[cH](->[Ru+2])c(C(C)(C... 0.000

#22 Cc1cnc[cH]2->[Ru+2](<-[cH]3c(P(c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c4cc(C(C)(C)C)cc(C(C... 0.000

#23 Cc1cncc[cH]1->[Ru+2] 0.000

Sequential multi-lig (v2) — 198 candidates

Pred: {"P": 3, "N": 1}