Compare #826 — BiometalDB

{"N": 1, "P": 2}

Ground Truth

0.667

Single-lig

0.000

Sequential

-0.667

Δ Sequential

Single-ligand (v1) — 234 candidates

Pred: {"P": 2}

#2 CC(C)N1[P](->[Ru+2]<-[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1 0.999

#3 CC(C)N(P(c1ccccc1)c1ccccc1)[P](->[Ru+2])(c1ccccc1)c1ccccc1 0.005

#4 CC(C)N(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1cc[cH]2->[Ru+2]<-[cH]2c1 0.000

#5 CC(C)N(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccc[cH]2->[Ru+2]<-[cH]12 0.000

#6 CC(C)N(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1cc[cH]2->[Ru+]3<-[cH]1[cH]->32 0.000

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

#8 CC(C)N(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1c[cH]2->[Ru+]3<-[cH](c1)[cH]->32 0.000

#9 CC(C)N(P(C1=CC=C[CH]2[Ru+2][CH]12)c1ccccc1)P(c1ccccc1)c1ccccc1 0.000

#10 CC(C)N(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1c[cH]2->[Ru+2]34<-[cH]1[cH]->3[cH]->42 0.000

#11 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3ccc(P(c4ccccc4)N(C(C)C)P(c4ccccc4)c4ccccc4)c[c... 0.000

#12 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3cccc(P(c4ccccc4)N(C(C)C)P(c4ccccc4)c4ccccc4)[c... 0.000

#13 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2ccc(P(c3ccccc3)N(C(C)C)P(c3ccccc3)c3ccccc3)c[... 0.000

#14 CC(C)N(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1cccc[cH]1->[Ru+2] 0.000

#15 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2cccc(P(c3ccccc3)N(C(C)C)P(c3ccccc3)c3ccccc3)[... 0.000

#16 CC(C)N1P(c2ccccc2)c2ccc[cH](->[Ru+2]3<-[cH]4ccc(P1c1ccccc1)c[cH]->34)c2 0.000

#17 CC(C)N(P(c1ccccc1)c1ccccc1)P1c2ccc[cH](->[Ru+2]3<-[cH]4ccc1c[cH]->34)c2 0.000

#18 CC(C)N1P(c2ccccc2)c2cc[cH]3->[Ru+2](<-[cH]4ccccc4P1c1ccccc1)<-[cH]3c2 0.000

#19 CC(C)N(P(c1ccccc1)c1ccccc1)P1c2cc[cH]3->[Ru+2](<-[cH]4ccccc41)<-[cH]3c2 0.000

#20 CC(C)N(P(c1ccccc1)c1ccccc1)P1c2ccc[cH](->[Ru+2]3<-[cH]4cccc1[cH]->34)c2 0.000

#21 CC(C)N(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1cc[cH](->[Ru+2])cc1 0.000

#22 CC(C)N(P(c1ccccc1)c1ccccc1)P1c2cccc[cH]2->[Ru+2]2<-[cH]3cccc1[cH]->23 0.000

#23 CC(C)N1P(c2ccccc2)c2cccc[cH]2->[Ru+2]2<-[cH]3cccc(P1c1ccccc1)[cH]->23 0.000

#24 CC(C)N(P(c1ccccc1)c1ccccc1)P1c2cc[cH](->[Ru+2]3<-[cH]4ccc1c[cH]->34)cc2 0.000

#25 CC(C)N(P(c1ccccc1)c1ccccc1)P1c2cc[cH](->[Ru+2]3<-[cH]4cccc1[cH]->34)cc2 0.000

#26 CC(C)N(P1C2=C[CH]3[CH](C=C2)[Ru+2]32[CH]3C=CC1=C[CH]32)P(c1ccccc1)c1ccccc1 0.000

#27 CC(C)N1P(c2ccccc2)C2=C[CH]3[CH](C=C2)[Ru+2]32[CH]3C=CC=C([CH]32)P1c1ccccc1 0.000

Sequential multi-lig (v2) — 234 candidates

Pred: {"P": 4}