Compare #711 — BiometalDB

{"P": 2, "N": 2}

Ground Truth

0.000

Single-lig

1.000

Sequential

+1.000

Δ Sequential

Single-ligand (v1) — 252 candidates

Pred: {"N": 2}

#2 c1cc[n]2->[Ru+2]<-[n]3ccccc3-c2c1 0.751

#3 [Ru+2]<-[P](/C=C/P(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1 0.345

#4 [Ru+2]<-[P](/C=C\P(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1 0.302

#5 C(=C/[P](c1ccccc1)(c1ccccc1)->[Ru+2]1<-[n]2ccccc2-c2cccc[n]->12)/P(c1ccccc1)c1cc... 0.152

#6 [Ru+2]<-[n]1ccccc1-c1ccccn1 0.050

#7 c1ccc(-c2nc[cH]3->[Ru+]4<-[cH]2[cH]->43)nc1 0.000

#8 c1ccc(-c2c[cH]3->[Ru+2]<-[cH]3cn2)nc1 0.000

#9 c1cc[n]2->[Ru+2]3<-[cH]4cnc(-c2c1)c[cH]->34 0.000

#10 C(=C/P(c1ccccc1)c1cc[cH]2->[Ru+2]<-[cH]2c1)/P(c1ccccc1)c1ccccc1 0.000

#11 [Ru+2]<-[cH]1ccc(-c2ccccn2)nc1 0.000

#12 C(=C/P(c1ccccc1)c1c[cH]2->[Ru+2]34<-[cH]1[cH]->3[cH]->42)/P(c1ccccc1)c1ccccc1 0.000

#13 [Ru+2]<-[cH]1cccnc1-c1ccccn1 0.000

#14 C1=C(P(/C=C\P(c2ccccc2)c2ccccc2)c2ccccc2)[CH]2[CH]3[CH]4[CH]1[Ru+2]243 0.000

#15 [Ru+2]<-[cH]1ccccc1P(/C=C\P(c1ccccc1)c1ccccc1)c1ccccc1 0.000

#16 C1=C\P(c2ccccc2)c2cccc[cH]2->[Ru+2]2<-[cH]3ccc(P/1c1ccccc1)c[cH]->23 0.000

#17 C1=C\P(c2ccccc2)c2ccc[cH]3->[Ru+2](<-[cH]4cccc(P/1c1ccccc1)c4)<-[cH]23 0.000

#18 C1=C\P(c2ccccc2)c2cc[cH]3->[Ru+2](<-[cH]4cccc(P/1c1ccccc1)c4)<-[cH]3c2 0.000

#19 C(=C/P1c2ccc[cH](->[Ru+2]3<-[cH]4ccc1c[cH]->34)c2)/P(c1ccccc1)c1ccccc1 0.000

#20 C1=C[CH]2[CH]3C=C1P(c1ccccc1)/C=C\P(c1ccccc1)C1=C[CH]4[CH](C=C1)[Ru+2]234 0.000

#21 C1=C\P(c2ccccc2)c2ccc[cH]3->[Ru+2](<-[cH]4ccc(P/1c1ccccc1)cc4)<-[cH]23 0.000

#22 C(=C/P1c2cc[cH](->[Ru+2]3<-[cH]4cccc1[cH]->34)cc2)/P(c1ccccc1)c1ccccc1 0.000

#23 C1=C\P(c2ccccc2)c2cc[cH]3->[Ru+2](<-[cH]4ccc(P/1c1ccccc1)cc4)<-[cH]3c2 0.000

#24 C(=C/P1c2cc[cH](->[Ru+2]3<-[cH]4ccc1c[cH]->34)cc2)/P(c1ccccc1)c1ccccc1 0.000

#25 C1=C[CH]2[CH]3C=C1P(/C=C\P(c1ccccc1)c1ccccc1)C1=C[CH]4[CH](C=C1)[Ru+2]234 0.000

#26 C(=C/P(c1ccccc1)c1ccc[cH]2->[Ru+2](<-[cH]3ccc(-c4ccccn4)nc3)<-[cH]12)/P(c1ccccc1... 0.000

#27 C(=C/P(c1ccccc1)c1ccc[cH]2->[Ru+2](<-[cH]3ccnc(-c4ccccn4)c3)<-[cH]12)/P(c1ccccc1... 0.000

#28 C(=C/P(c1ccccc1)c1cc[cH]2->[Ru+2](<-[cH]3ccnc(-c4ccccn4)c3)<-[cH]2c1)/P(c1ccccc1... 0.000

#29 C(=C/P(c1ccccc1)c1ccc[cH]2->[Ru+2](<-[cH]3cccnc3-c3ccccn3)<-[cH]12)/P(c1ccccc1)c... 0.000

Sequential multi-lig (v2) — 252 candidates

Pred: {"P": 2, "N": 2}