Compare #357 — BiometalDB

{"N": 2, "O": 1, "P": 1}

Ground Truth

0.000

Single-lig

0.000

Sequential

+0.000

Δ Sequential

Single-ligand (v1) — 234 candidates

Pred: {"N": 2}

#2 Cc1cc[n]2->[Ru+2]<-[n]3ccc(C)cc3-c2c1 0.999

#3 OC[C]12[CH]3[CH]4[CH]5[CH]1[Ru+]4532 0.883

#4 [Ru+2]<-[OH]C[c-]1cccc1 0.568

#5 OC[c-]1c[cH]2->[Ru+]3<-[cH]1[cH]->32 0.001

#6 Cc1ccnc(-c2cc(C)cc[n]2->[Ru+2])c1 0.000

#7 c1ccc(P(c2ccccc2)c2cc[cH]3->[Ru+]4<-[cH]2[cH]->43)cc1 0.000

#8 c1ccc(P(c2ccccc2)c2ccc[cH]3->[Ru+2]<-[cH]23)cc1 0.000

#9 c1ccc(P(c2ccccc2)c2c[cH]3->[Ru+2]45<-[cH]2[cH]->4[cH]->53)cc1 0.000

#10 Cc1ccnc(-c2cc(C)cc[n]2->[Ru+2]2<-[cH]3cccc(P(c4ccccc4)c4ccccc4)[cH]->23)c1 0.000

#11 Cc1ccnc(-c2cc(C)cc[n]2->[Ru+2]2<-[cH]3ccc(P(c4ccccc4)c4ccccc4)c[cH]->23)c1 0.000

#12 [Ru+2]<-[cH]1cccc(P(c2ccccc2)c2ccccc2)c1 0.000

#13 c1ccc(P2c3cc[cH]4->[Ru+2](<-[cH]5ccccc52)<-[cH]4c3)cc1 0.000

#14 c1ccc(P2c3ccc[cH](->[Ru+2]4<-[cH]5cccc2[cH]->45)c3)cc1 0.000

#15 c1ccc(P2c3ccc[cH](->[Ru+2]4<-[cH]5ccc2c[cH]->45)c3)cc1 0.000

#16 OC[c-]1cc[cH]2->[Ru+2](<-[cH]3cccc(P(c4ccccc4)c4ccccc4)c3)<-[cH]12 0.000

#17 OC[c-]1cc[cH](->[Ru+2]2<-[cH]3cccc(P(c4ccccc4)c4ccccc4)[cH]->23)c1 0.000

#18 c1ccc(P2c3cc[cH](->[Ru+2]4<-[cH]5cccc2[cH]->45)cc3)cc1 0.000

#19 OC[c-]1cc[cH](->[Ru+2]2<-[cH]3ccc(P(c4ccccc4)c4ccccc4)c[cH]->23)c1 0.000

#20 c1ccc(P2c3cc[cH](->[Ru+2]4<-[cH]5ccc2c[cH]->45)cc3)cc1 0.000

#21 OC[c-]1cc[cH]2->[Ru+2](<-[cH]3ccc(P(c4ccccc4)c4ccccc4)cc3)<-[cH]12 0.000

#22 C1=C[CH]2[CH]3C=C1P(c1ccccc1)C1=C[CH]4[CH](C=C1)[Ru+2]234 0.000

#23 Cc1ccnc(-c2nccc(C)[cH]2->[Ru+2])c1 0.000

#24 Cc1ccnc(-c2nccc(C)[cH]2->[Ru+2]2<-[cH]3cc[c-](CO)[cH]->23)c1 0.000

#25 OC[c-]1ccc[cH]1->[Ru+2]1<-[cH]2cccc(P(c3ccccc3)c3ccccc3)[cH]->12 0.000

#26 Cc1ccnc(-c2nccc(C)[cH]2->[Ru+2]2<-[cH]3cccc(P(c4ccccc4)c4ccccc4)[cH]->23)c1 0.000

#27 Cc1ccnc(-c2nccc(C)[cH]2->[Ru+2]2<-[cH]3ccc(P(c4ccccc4)c4ccccc4)c[cH]->23)c1 0.000

Sequential multi-lig (v2) — 234 candidates

Pred: {"N": 6, "P": 1}