Compare #32 — BiometalDB

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

Ground Truth

0.000

Single-lig

0.000

Sequential

+0.000

Δ Sequential

Single-ligand (v1) — 120 candidates

Pred: {"P": 1}

#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.996

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

#2 C1=C[CH]2[CH]3[CH]4[CH]1[Ru+2]243<-[P]12CN3CN(CN(C3)C1)C2 0.480

#3 [cH]12->[Ru+2]3456<-[cH]1[cH]->3[cH]->4[cH]->5[cH]->62 0.173

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

#3 C1=C[CH]2[CH](C=C1)[Ru+2]2<-[P]12CN3CN(CN(C3)C1)C2 0.290

#4 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.049

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

#4 C1N2CN3CN1C[P](->[Ru+2]14567<-[cH]8[cH]->1[cH]->4[cH]->5[cH]->6[cH]->78)(C2)C3 0.110

#5 c1cc[cH]2->[Ru+2]<-[cH]2c1 0.041

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

#5 c1c[cH]2->[Ru+]3(<-[cH](c1)[cH]->32)<-[P]12CN3CN(CN(C3)C1)C2 0.030

#6 c1c[cH]2->[Ru+]3<-[cH](c1)[cH]->32 0.020

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

#6 c1c[cH]2->[Ru+2]34(<-[cH]1[cH]->3[cH]->42)<-[P]12CN3CN(CN(C3)C1)C2 0.030

#7 c1c[cH]2->[Ru+2]34<-[cH]1[cH]->3[cH]->42 0.011

#7 c1cc[cH]2->[Ru+2](<-[cH]2c1)<-[P]12CN3CN(CN(C3)C1)C2 0.010

#8 C1=C[CH]2[Ru+2][CH]2C=C1 0.010

#8 c1cc[cH](->[Ru+2]<-[P]23CN4CN(CN(C4)C2)C3)cc1 0.000

#9 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.007

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

#11 C1=C[CH]2[CH]3[CH]4[CH]1[Ru+2]243 0.004

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

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

Sequential multi-lig (v2) — 120 candidates

Pred: {"P": 2}