Compare #464 — BiometalDB

{"N": 2}

Ground Truth

0.000

Single-lig

0.000

Sequential

+0.000

Δ Sequential

Single-ligand (v1) — 216 candidates

Pred: {"N": 2}

#2 c1cc2ccc3ccc[n]4->[Ru+2]<-[n](c1)c2c34 0.998

#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.343

#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.080

#5 c1cc2ccc3c4nc[cH]5->[Ru+2](<-[cH]35)<-[n](c1)c24 0.000

#6 C1=Nc2c(ccc3cccnc23)[CH]2[Ru+2][CH]12 0.000

#7 c1cnc2c(c1)[cH]1->[Ru+2]3<-[cH]1c1ccc[n]->3c21 0.000

#8 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]12)<-[n]1cccc2ccc3cccnc3c21 0.000

#9 c1cnc2c3ncccc3[cH]3->[Ru+2]<-[cH]3c2c1 0.000

#10 c1cnc2c(c1)ccc1c2nc[cH]2->[Ru+2]<-[cH]12 0.000

#11 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000

#12 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000

#13 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3c4cccnc4c4ncccc4[cH]->23)c1 0.000

#14 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3cnc4c5ncccc5ccc4[cH]->23)c1 0.000

#15 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2c3cccnc3c3ncccc3[cH]->12 0.000

#16 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cc4cccnc4c4ncccc43)<-[cH]12 0.000

#17 c1cnc2c3nc[cH]4->[Ru+2]5<-[cH](cc3[cH]->54)c2c1 0.000

#18 c1cnc2c3nc[cH]4->[Ru+2]5<-[cH](c2c1)[cH]->5c3c4 0.000

#19 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2cnc3c4ncccc4ccc3[cH]->12 0.000

#20 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cnc4c(ccc5cccnc54)c3)<-[cH]12 0.000

#21 c1cc2c3nc[cH]4->[Ru+2](<-[cH]5cnc3c1c5)<-[cH]24 0.000

#22 c1c[cH]2->[Ru+2]3<-[cH]4cnc5c(n1)c2ccc5[cH]->34 0.000

#23 [Ru+2]<-[cH]1cnc2c(ccc3cccnc32)c1 0.000

#24 [Ru+2]<-[cH]1cc2cccnc2c2ncccc21 0.000

#25 [Ru+2]<-[cH]1ccnc2c3ncccc3ccc21 0.000

Sequential multi-lig (v2) — 216 candidates