Compare #634 — BiometalDB

{"N": 5}

Ground Truth

0.000

Single-lig

0.000

Sequential

+0.000

Δ Sequential

Single-ligand (v1) — 252 candidates

Pred: {"N": 2}

#2 Cc1cc[n]2->[Ru+2]<-[n]3ccc(Cn4cc(-c5ccc(/C(=C(\c6ccccc6)c6ccc(-c7ccc(OCCCC[P+](c... 0.978

#3 Cc1ccnc(-c2cc(Cn3cc(-c4ccc(/C(=C(\c5ccccc5)c5ccc(-c6ccc(OCCCC[P+](c7ccccc7)(c7cc... 0.001

#4 Cc1ccnc(-c2cc3Cn4cc(-c5ccc(/C(=C(\c6ccccc6)c6ccc(-c7ccc(OCCCC[P+](c8ccccc8)(c8cc... 0.000

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

#6 Cc1ccnc(-c2cc(Cn3cc(-c4ccc(/C(=C(\c5ccccc5)c5ccc(-c6ccc(OCCCC[P+](c7ccccc7)(c7cc... 0.000

#7 Cc1ccnc(-c2cc(Cn3cc(-c4ccc(/C(=C(\c5ccccc5)c5ccc(-c6ccc(OCCCC[P+](c7ccccc7)(c7cc... 0.000

#8 Cc1cc[n]2->[Ru+2]3<-[cH]4cccc([P+](CCCCOc5ccc(-c6ccc(/C(=C(\c7ccccc7)c7ccc(-c8cn... 0.000

#9 Cc1ccnc(-c2cc(Cn3cc(-c4ccc(/C(=C(\c5ccccc5)c5ccc(-c6ccc(OCCCC[P+](c7ccccc7)(c7cc... 0.000

#10 Cc1ccnc(-c2cc(Cn3cc(-c4ccc(/C(=C(\c5ccccc5)c5ccc(-c6ccc(OCCCC[P+](c7ccccc7)(c7cc... 0.000

#11 Cc1ccnc(-c2cc(Cn3cc(-c4ccc(/C(=C(/c5ccc(-c6ccc(OCCCC[P+](c7ccccc7)(c7ccccc7)c7cc... 0.000

#12 Cc1ccnc(-c2cc(Cn3cc(-c4ccc(/C(=C(\c5ccccc5)c5ccc(-c6ccc(OCCCC[P+](c7ccccc7)(c7cc... 0.000

#13 Cc1ccnc(-c2cc(Cn3cc(-c4ccc(/C(=C(\c5ccccc5)c5ccc(-c6ccc(OCCCC[P+](c7ccccc7)(c7cc... 0.000

#14 Cc1ccnc(-c2cc(Cn3cc(-c4ccc(/C(=C(\c5ccccc5)c5ccc(-c6ccc(OCCCC[P+](c7ccccc7)(c7cc... 0.000

#15 Cc1ccnc(-c2cc(Cn3cc(-c4ccc(/C(=C(/c5ccc(-c6ccc(OCCCC[P+](c7ccccc7)(c7ccccc7)c7cc... 0.000

#16 Cc1ccnc(-c2cc(Cn3cc(-c4ccc(/C(=C(/c5ccc(-c6ccc(OCCCC[P+](c7ccccc7)(c7ccccc7)c7cc... 0.000

#17 Cc1ccnc(-c2cc(Cn3cc(-c4ccc5/C(=C(\c6ccccc6)c6ccc(-c7ccc(OCCCC[P+](c8ccccc8)(c8cc... 0.000

#18 Cc1ccnc(-c2cc(Cn3cc(-c4ccc5/C(=C(\c6ccccc6)c6ccc(-c7ccc(OCCCC[P+](c8ccccc8)(c8cc... 0.000

#19 Cc1ccnc(-c2cc(Cn3cc(-c4ccc(/C(=C5/c6ccc(-c7ccc(OCCCC[P+](c8ccccc8)(c8ccccc8)c8cc... 0.000

#20 Cc1ccnc(-c2cc(Cn3cc(-c4ccc(/C(=C(\c5ccccc5)c5ccc(-c6ccc(OCCCC[P+](c7ccccc7)(c7cc... 0.000

#21 Cc1ccnc(-c2cc(Cn3cc(-c4ccc(/C5=C(/c6ccc(-c7ccc(OCCCC[P+](c8ccccc8)(c8ccccc8)c8cc... 0.000

#22 Cc1ccnc(-c2cc(Cn3cc(-c4ccc(/C5=C(/c6ccc(-c7ccc(OCCCC[P+](c8ccccc8)(c8ccccc8)c8cc... 0.000

#23 Cc1ccnc(-c2cc(Cn3cc(-c4ccc(/C(=C5/c6ccc(-c7ccc(OCCCC[P+](c8ccccc8)(c8ccccc8)c8cc... 0.000

#24 Cc1ccnc(-c2cc(Cn3cc(-c4ccc(/C(=C(\c5ccccc5)c5ccc(-c6ccc(OCCCC[P+](c7ccccc7)(c7cc... 0.000

#25 Cc1ccnc(-c2cc(Cn3cc(-c4ccc(/C(=C(\c5ccccc5)c5ccc(-c6ccc(OCCCC[P+](c7ccccc7)(c7cc... 0.000

#26 Cc1ccnc(-c2cc3Cn4cc(-c5ccc(/C(=C(\c6ccccc6)c6ccc(-c7ccc(OCCCC[P+](c8ccccc8)(c8cc... 0.000

#27 Cc1cc2-c3cc(Cn4cc(-c5ccc(/C(=C(\c6ccccc6)c6ccc(-c7ccc(OCCCC[P+](c8ccccc8)(c8cccc... 0.000

#28 Cc1ccnc(-c2cc(Cn3cc(-c4ccc(/C(=C(/c5ccc(-c6ccc(OCCCC[P+](c7ccccc7)(c7ccccc7)c7cc... 0.000

#29 Cc1ccnc2-c3cc(Cn4cc(-c5ccc(/C(=C(/c6ccc(-c7ccc(OCCCC[P+](c8ccccc8)(c8ccccc8)c8cc... 0.000

Sequential multi-lig (v2) — 252 candidates

Pred: C:6(eta)