Compare #253 — BiometalDB

{"N": 4}

Ground Truth

0.170

Single-lig

0.000

Sequential

-0.170

Δ Sequential

Single-ligand (v1) — 154 candidates

Pred: N:1

#1 c1c[cH]2->[Ru+3]<-[cH]2c2[nH]ncc12 0.000

#2 [Ru+3]<-[cH]1cccc2[nH]ncc21 0.000

#2 [Ru+3]<-[n]1cc2ccccc2[nH]1 0.000

#2 c1ccc2[nH][n](->[Ru+2]34<-[cH]5cc6[nH]ncc6[cH]->3[cH]->45)cc2c1 0.000

#3 c1n[nH]c2c[cH]3->[Ru+3]<-[cH]3cc12 0.000

#3 c1n[nH]c2c1c[cH]1->[Ru+2]3<-[cH]2[cH]->31 0.000

#3 c1ccc2[nH][n](->[Ru+2]34<-[cH]5cc6cn[nH]c6[cH]->3[cH]->45)cc2c1 0.000

#4 C1=C[CH]2[Ru+3][CH]2c2[nH]ncc21 0.000

#4 c1n[nH]c2c[cH]3->[Ru+2]4<-[cH](c12)[cH]->43 0.000

#4 c1ccc2[nH][n](->[Ru+3]<-[n]3cc4ccccc4[nH]3)cc2c1 0.000

#5 C1=C[CH]2[Ru+3][CH]2c2cn[nH]c21 0.000

#5 [Ru+3]<-[cH]1ccc2cn[nH]c2c1 0.000

#5 c1ccc2[nH][n](->[Ru+3]3<-[cH]4ccc5cn[nH]c5[cH]->34)cc2c1 0.000

#6 c1c[cH]2->[Ru+3]<-[cH]2c2cn[nH]c12 0.000

#6 c1ccc2[nH][n](->[Ru+3]3<-[cH]4ccc5[nH]ncc5[cH]->34)cc2c1 0.000

#7 c1n[nH]c2c[cH]3->[Ru+2]4<-[cH](c12)[cH]->43 0.000

#7 c1c[cH]2->[Ru+3]<-[cH]2c2[nH]ncc12 0.000

#7 c1ccc2[nH][n](->[Ru+3]345[CH]6c7cn[nH]c7[CH]3[CH]4[CH]65)cc2c1 0.000

#8 c1n[nH]c2c1c[cH]1->[Ru+2]3<-[cH]2[cH]->31 0.000

#8 [Ru+3]<-[cH]1ccc2[nH]ncc2c1 0.000

#8 c1ccc2[nH][n](->[Ru+3]<-[cH]3ccc4cn[nH]c4c3)cc2c1 0.000

#9 [Ru+3]<-[cH]1ccc2cn[nH]c2c1 0.000

#9 [Ru+3]<-[cH]1cccc2[nH]ncc21 0.000

#9 c1ccc2[nH][n](->[Ru+3]<-[cH]3cccc4[nH]ncc43)cc2c1 0.000

#10 c1n[nH]c2c1[cH]1->[Ru+3]34<-[cH]2[cH]->3[cH]->41 0.000

#10 [Ru+3]<-[cH]1cccc2cn[nH]c21 0.000

#10 c1ccc2[nH][n](->[Ru+3]<-[cH]3cccc4cn[nH]c43)cc2c1 0.000

#11 [Ru+3]<-[cH]1ccc2[nH]ncc2c1 0.000

#11 c1n[nH]c2c1[cH]1->[Ru+3]34<-[cH]2[cH]->3[cH]->41 0.000

#11 c1ccc2[nH][n](->[Ru+3]<-[cH]3ccc4[nH]ncc4c3)cc2c1 0.000

#12 [Ru+3]<-[cH]1cccc2cn[nH]c21 0.000

#12 c1n[nH]c2c[cH]3->[Ru+3]<-[cH]3cc12 0.000

#12 c1ccc2[nH][n](->[Ru+3]345<-[cH]6c7cn[nH]c7[cH]->3[cH]->4[cH]->56)cc2c1 0.000

#13 c1n[nH]c2c1[CH]1[CH]3[CH]4[CH]2[Ru+3]134 0.000

#13 c1ccc2[nH][n](->[Ru+3]3<-[cH]4cc5cn[nH]c5c[cH]->34)cc2c1 0.000

#14 [Ru+3]<-[n]1cc2ccccc2[nH]1 0.000

#14 C1=C[CH]2[Ru+3][CH]2c2[nH]ncc21 0.000

#14 C1=C[CH]2[CH](c3cn[nH]c31)[Ru+3]2<-[n]1cc2ccccc2[nH]1 0.000

#15 C1=C[CH]2[Ru+3][CH]2c2cn[nH]c21 0.000

#15 C1=C[CH]2[CH](c3[nH]ncc31)[Ru+3]2<-[n]1cc2ccccc2[nH]1 0.000

Sequential multi-lig (v2) — 154 candidates

Pred: {"N": 2}