Compare #34 — BiometalDB

{"N": 4, "P": 1}

Ground Truth

0.000

Single-lig

0.000

Sequential

+0.000

Δ Sequential

Single-ligand (v1) — 158 candidates

Pred: {"P": 1}

#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.994

#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.990

#3 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.069

#3 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.020

#4 Cc1n(CC[c]23->[Ru+2]4567<-[cH]([cH]->4[cH]->52)[cH]->6[cH]->73)cc[n+]1C 0.069

#4 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.010

#5 Cc1n(CCc2ccc[cH]3->[Ru+2]<-[cH]23)cc[n+]1C 0.015

#5 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.000

#6 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.015

#6 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000

#7 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.011

#8 Cc1n(CCc2cc[cH]3->[Ru+]4<-[cH]2[cH]->43)cc[n+]1C 0.010

#9 Cc1n(CCc2cc[cH]3->[Ru+2]<-[cH]3c2)cc[n+]1C 0.009

#10 Cc1n(CCc2c[cH]3->[Ru+]4<-[cH](c2)[cH]->43)cc[n+]1C 0.006

#11 Cc1n(CCC2=C[CH]3[Ru+2][CH]3C=C2)cc[n+]1C 0.006

#12 Cc1n(CCc2c[cH]3->[Ru+2]45<-[cH]2[cH]->4[cH]->53)cc[n+]1C 0.005

#13 Cc1n(CCC2=CC=C[CH]3[Ru+2][CH]23)cc[n+]1C 0.003

#14 Cc1n(CCC2=C[CH]3[CH]4[CH]5[CH]2[Ru+2]345)cc[n+]1C 0.001

#15 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000

#16 Cc1n(CCc2ccc[cH](->[Ru+2])c2)cc[n+]1C 0.000

#17 Cc1n(CCc2cc[cH](->[Ru+2])cc2)cc[n+]1C 0.000

#18 Cc1n(CCc2cccc[cH]2->[Ru+2])cc[n+]1C 0.000

Sequential multi-lig (v2) — 158 candidates

Pred: {"P": 2}