Compare #25 — BiometalDB

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

Ground Truth

0.000

Single-lig

0.000

Sequential

+0.000

Δ Sequential

Single-ligand (v1) — 150 candidates

Pred: {"P": 1}

#2 CN1CN2CN(C1)C[P](C)(->[Ru+2])C2 0.968

#2 CN1CN2CN(C1)C[P](C)(->[Ru+2])C2 0.970

#2 CN1CN2CN(C1)C[P](C)(->[Ru+2]134[CH]5C=C[CH]1[CH]3[CH]54)C2 0.360

#3 C[N]12->[Ru+2]<-[P]3(C)CN(CN(C1)C3)C2 0.271

#3 C[N]12->[Ru+2]<-[P]3(C)CN(CN(C1)C3)C2 0.210

#3 CN1CN2CN(C1)C[P](C)(->[Ru+2]1[CH]3C=CC=C[CH]31)C2 0.170

#4 [cH]12->[Ru+2]3456<-[cH]1[cH]->3[cH]->4[cH]->5[cH]->62 0.178

#4 CN1CN2C[N]3(->[Ru+2]<-[P](C)(C2)C3)C1 0.030

#4 CN1CN2CN(C1)C[P](C)(->[Ru+2]13456<-[cH]7[cH]->1[cH]->3[cH]->4[cH]->5[cH]->67)C2 0.070

#5 c1cc[cH]2->[Ru+2]<-[cH]2c1 0.052

#5 CP1C[N]23->[Ru+2]4<-[N](C)(C2)C[N]->4(C1)C3 0.010

#5 CN1CN2CN(C1)C[P](C)(->[Ru+]13<-[cH]4ccc[cH]->1[cH]->34)C2 0.010

#6 CN1CN2C[N]3(->[Ru+2]<-[P](C)(C2)C3)C1 0.033

#6 CN1CN2CP(C)C[N](->[Ru+2])(C1)C2 0.000

#6 CN1CN2CN(C1)C[P](C)(->[Ru+2]134<-[cH]5cc[cH]->1[cH]->3[cH]->45)C2 0.010

#7 c1c[cH]2->[Ru+]3<-[cH](c1)[cH]->32 0.024

#7 CP1CN2CN(C1)C[N](C)(->[Ru+2])C2 0.000

#7 CN1CN2CN(C1)C[P](C)(->[Ru+2]1<-[cH]3cccc[cH]->13)C2 0.000

#8 C1=C[CH]2[Ru+2][CH]2C=C1 0.014

#8 CP1CN2C[N]3(C)->[Ru+2]<-[N](C2)(C1)C3 0.000

#8 CN1CN2CN(C1)C[P](C)(->[Ru+2]<-[cH]1ccccc1)C2 0.000

#9 c1c[cH]2->[Ru+2]34<-[cH]1[cH]->3[cH]->42 0.013

#9 CN1C[N]23->[Ru+2]<-[N](C1)(CP(C)C2)C3 0.000

#10 CP1C[N]23->[Ru+2]4<-[N](C)(C2)C[N]->4(C1)C3 0.007

#11 C1=C[CH]2[CH]3[CH]4[CH]1[Ru+2]243 0.005

#12 CN1CN2CP(C)C[N](->[Ru+2])(C1)C2 0.003

#13 CP1CN2CN(C1)C[N](C)(->[Ru+2])C2 0.002

#14 CP1CN2C[N]3(C)->[Ru+2]<-[N](C2)(C1)C3 0.000

#15 CN1C[N]23->[Ru+2]<-[N](C1)(CP(C)C2)C3 0.000

#16 [Ru+2]<-[cH]1ccccc1 0.000

Sequential multi-lig (v2) — 150 candidates

Pred: {"P": 2}