Compare #822 — BiometalDB

{"N": 3, "P": 2}

Ground Truth

0.000

Single-lig

0.000

Sequential

+0.000

Δ Sequential

Single-ligand (v1) — 207 candidates

Pred: C:6(eta)

#2 C[c]12->[Ru+2]3456<-[cH]([cH]->3[cH]->41)[cH]->5[cH]->62 0.195

#3 Cc1cc[cH]2->[Ru+]3<-[cH]1[cH]->32 0.018

#4 Cc1cc[cH]2->[Ru+2]<-[cH]2c1 0.017

#5 Cc1c[cH]2->[Ru+2]34<-[cH]1[cH]->3[cH]->42 0.010

#6 CC1=C[CH]2[Ru+2][CH]2C=C1 0.007

#7 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.005

#8 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.005

#9 CC1=CC=C[CH]2[Ru+2][CH]12 0.003

#10 c1ccc(P(c2ccccc2)c2ccc[cH]3->[Ru+2]<-[cH]23)cc1 0.000

#11 C1=C[CH]2[Ru+2][CH]2C(P(c2ccccc2)c2ccccc2)=C1 0.000

#12 C1=C[CH]2[CH]3C(=C1)P(c1ccccc1)C1=CC=C[CH]4[CH]1[Ru+2]243 0.000

#13 CC1=C[CH]2[CH](C=C1)[Ru+2]21[CH]2C=CC(P(c3ccccc3)c3ccccc3)=C[CH]21 0.000

#14 c1ccc(P2c3cccc[cH]3->[Ru+2]3<-[cH]4cccc2[cH]->34)cc1 0.000

#15 Cc1cccc[cH]1->[Ru+2]1<-[cH]2cccc(P(c3ccccc3)c3ccccc3)[cH]->12 0.000

#16 Cc1ccc[cH](->[Ru+2]2<-[cH]3ccc(P(c4ccccc4)c4ccccc4)c[cH]->23)c1 0.000

#17 Cc1ccc[cH](->[Ru+2]2<-[cH]3cccc(P(c4ccccc4)c4ccccc4)[cH]->23)c1 0.000

#18 c1ccc(P2c3cc[cH]4->[Ru+2](<-[cH]5ccccc52)<-[cH]4c3)cc1 0.000

#19 Cc1cc[cH](->[Ru+2]2<-[cH]3ccc(P(c4ccccc4)c4ccccc4)c[cH]->23)cc1 0.000

#20 c1ccc(P2c3ccc[cH](->[Ru+2]4<-[cH]5ccc2c[cH]->45)c3)cc1 0.000

#21 Cc1ccc[cH]2->[Ru+2](<-[cH]3ccc(P(c4ccccc4)c4ccccc4)cc3)<-[cH]12 0.000

#22 c1ccc(P2c3ccc[cH](->[Ru+2]4<-[cH]5cccc2[cH]->45)c3)cc1 0.000

#23 Cc1cc[cH]2->[Ru+2](<-[cH]3ccc(P(c4ccccc4)c4ccccc4)cc3)<-[cH]2c1 0.000

#24 c1ccc(P2c3cc[cH](->[Ru+2]4<-[cH]5cccc2[cH]->45)cc3)cc1 0.000

Sequential multi-lig (v2) — 207 candidates

Pred: {"P": 4}