Compare #827 — BiometalDB

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

Ground Truth

1.000

Single-lig

0.000

Sequential

-1.000

Δ Sequential

Single-ligand (v1) — 207 candidates

Pred: {"P": 2}

#2 CCCN1[P](->[Ru+2]<-[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1 0.999

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

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

#5 CCCN(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1c[cH]2->[Ru+2]34<-[cH]1[cH]->3[cH]->42 0.000

#6 CCCN(P(C1=C[CH]2[CH]3[CH]4[CH]1[Ru+2]234)c1ccccc1)P(c1ccccc1)c1ccccc1 0.000

#7 CCCN(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1cccc[cH]1->[Ru+2] 0.000

#8 CCCN(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1cc[cH]2->[Ru+2](<-[cH]3cc(C(C)C)ccc3C)<-[c... 0.000

#9 CCCN1P(c2ccccc2)c2ccc[cH](->[Ru+2]3<-[cH]4ccc(P1c1ccccc1)c[cH]->34)c2 0.000

#10 CCCN(P(c1ccccc1)c1ccccc1)P1c2ccc[cH](->[Ru+2]3<-[cH]4ccc1c[cH]->34)c2 0.000

#11 CCCN1P(c2ccccc2)c2cc[cH]3->[Ru+2](<-[cH]4ccccc4P1c1ccccc1)<-[cH]3c2 0.000

#12 CCCN1P(c2ccccc2)c2ccc[cH](->[Ru+2]3<-[cH]4cccc(P1c1ccccc1)[cH]->34)c2 0.000

#13 CCCN(P(c1ccccc1)c1ccccc1)P1c2ccc[cH](->[Ru+2]3<-[cH]4cccc1[cH]->34)c2 0.000

#14 CCCN(P(c1ccccc1)c1ccccc1)P1c2cc[cH]3->[Ru+2](<-[cH]4ccccc41)<-[cH]3c2 0.000

#15 CCCN(P1C2=CC=C[CH]3[CH]2[Ru+2]32[CH]3C=CC=C1[CH]32)P(c1ccccc1)c1ccccc1 0.000

#16 CCCN(P(c1ccccc1)c1ccccc1)P1c2cccc[cH]2->[Ru+2]2<-[cH]3cccc1[cH]->23 0.000

#17 CCCN(P(c1ccccc1)c1ccccc1)P1c2cc[cH](->[Ru+2]3<-[cH]4ccc1c[cH]->34)cc2 0.000

#18 CCCN1P(c2ccccc2)c2cccc[cH]2->[Ru+2]2<-[cH]3cccc(P1c1ccccc1)[cH]->23 0.000

#19 CCCN(P1C2=C[CH]3[CH](C=C2)[Ru+2]32[CH]3C=CC1=C[CH]32)P(c1ccccc1)c1ccccc1 0.000

#20 CCCN(P(c1ccccc1)c1ccccc1)P1c2cc[cH](->[Ru+2]3<-[cH]4cccc1[cH]->34)cc2 0.000

#21 CCCN1P(c2ccccc2)c2cc[cH](->[Ru+2]3<-[cH]4cccc(P1c1ccccc1)[cH]->34)cc2 0.000

#22 CCCN(P1C2=C[CH]3[CH](C=C2)[Ru+2]32[CH]3C=CC=C1[CH]32)P(c1ccccc1)c1ccccc1 0.000

#23 CCCN1P(c2ccccc2)C2=C[CH]3[CH](C=C2)[Ru+2]32[CH]3C=CC(=C[CH]32)P1c1ccccc1 0.000

#24 CCCN1P(c2ccccc2)C2=C[CH]3[CH](C=C2)[Ru+2]32[CH]3C=CC=C([CH]32)P1c1ccccc1 0.000

Sequential multi-lig (v2) — 207 candidates

Pred: {"P": 4}