Compare #655 — BiometalDB

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

Ground Truth

0.000

Single-lig

0.000

Sequential

+0.000

Δ Sequential

Single-ligand (v1) — 225 candidates

Pred: {"P": 2}

#2 CC(N[P](->[Ru+2]<-[P](NC(C)c1ccc(F)cc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)c1c... 0.996

#3 CC(NP(c1ccccc1)c1ccccc1)c1ccc(F)[cH]2->[Ru+2]<-[cH]12 0.000

#4 CC(NP(c1ccccc1)c1c[cH]2->[Ru+2]34<-[cH]1[cH]->3[cH]->42)c1ccc(F)cc1 0.000

#5 CC(NP(C1=C[CH]2[Ru+2][CH]2C=C1)c1ccccc1)c1ccc(F)cc1 0.000

#6 CC(NP(c1ccccc1)c1cccc[cH]1->[Ru+2])c1ccc(F)cc1 0.000

#7 CC1NP(c2ccccc2)c2cc[cH]3->[Ru+2](<-[cH]4cc1ccc4F)<-[cH]3c2 0.000

#8 CC1NP(c2ccccc2)c2ccc[cH](->[Ru+2]3<-[cH]4c(F)ccc1[cH]->34)c2 0.000

#9 CC1NP(c2ccccc2)c2cc[cH](->[Ru+2]3<-[cH]4c(F)ccc1[cH]->34)cc2 0.000

#10 CC1NP(c2ccccc2)c2cccc[cH]2->[Ru+2]2<-[cH]3c(F)ccc1[cH]->23 0.000

#11 CC1NP(c2ccccc2)c2ccc[cH]3->[Ru+2](<-[cH]4cc1ccc4F)<-[cH]23 0.000

#12 CC1NP(c2ccccc2)c2ccc[cH]3->[Ru+2](<-[cH]4cc(F)ccc41)<-[cH]23 0.000

#13 CC(NP1c2cc[cH]3->[Ru+2](<-[cH]4ccccc41)<-[cH]3c2)c1ccc(F)cc1 0.000

#14 CC(NP1c2ccc[cH](->[Ru+2]3<-[cH]4ccc1c[cH]->34)c2)c1ccc(F)cc1 0.000

#15 CC(NP1c2ccc[cH](->[Ru+2]3<-[cH]4cccc1[cH]->34)c2)c1ccc(F)cc1 0.000

#16 CC(NP1C2=C[CH]3[CH](C=C2)[Ru+2]32[CH]3C=CC=C1[CH]32)c1ccc(F)cc1 0.000

#17 CC(NP(c1ccccc1)c1ccccc1)c1ccc(F)[cH](->[Ru+2])c1 0.000

#18 CC(NP1C2=C[CH]3[CH](C=C2)[Ru+2]32[CH]3C=CC1=C[CH]32)c1ccc(F)cc1 0.000

#19 CC(NP(c1ccccc1)c1ccccc1)c1ccc(F)[cH](->[Ru+2]2<-[cH]3c(F)ccc(C(C)NP(c4ccccc4)c4c... 0.000

#20 CC(NP(c1ccccc1)c1ccc[cH](->[Ru+2]2<-[cH]3c(F)ccc(C(C)NP(c4ccccc4)c4ccccc4)[cH]->... 0.000

#21 CC(NP(c1ccccc1)c1ccccc1)c1ccc(F)[cH](->[Ru+2]2<-[cH]3ccc(P(NC(C)c4ccc(F)cc4)c4cc... 0.000

#22 CC(NP(c1ccccc1)c1cc[cH]2->[Ru+2](<-[cH]3cc(F)ccc3C(C)NP(c3ccccc3)c3ccccc3)<-[cH]... 0.000

#23 CC(NP(c1ccccc1)c1cc[cH]2->[Ru+2](<-[cH]3ccccc3P(NC(C)c3ccc(F)cc3)c3ccccc3)<-[cH]... 0.000

#24 CC(NP(c1ccccc1)c1ccc[cH](->[Ru+2]2<-[cH]3cccc(P(NC(C)c4ccc(F)cc4)c4ccccc4)[cH]->... 0.000

#25 CC(NP(c1ccccc1)c1cccc[cH]1->[Ru+2]1<-[cH]2cccc(P(NC(C)c3ccc(F)cc3)c3ccccc3)[cH]-... 0.000

#26 CC(NP(C1=CC=C[CH]2[CH]1[Ru+2]21[CH]2C=CC=C(P(NC(C)c3ccc(F)cc3)c3ccccc3)[CH]21)c1... 0.000

Sequential multi-lig (v2) — 225 candidates

Pred: {"P": 1}