D-MPNN Scoring — BiometalDB

rdmetallics.net (363)Sequential multi-lig (7058)Single-ligand (939)⇄ Compare

Exact (1.0)

2026

Partial (>0)

4945

No match

0.159

Mean score

#2778 Ru2 Ru(2) — 3 candidates

GT: {"N": 6} Pred: {"N": 12}

0.50

Candidates → Complex detail MOL 3D Viewer

#2827 1 Ru(2) — 3 candidates

GT: {"O": 1, "N": 3, "P": 2} Pred: {"O": 3, "N": 7, "P": 2}

0.50

Candidates → Complex detail MOL 3D Viewer

#2865 4,Ru2-pro Ru(2) — 3 candidates

GT: {"N": 6} Pred: {"N": 12}

0.50

Candidates → Complex detail MOL 3D Viewer

#2868 1 Ru(2) — 3 candidates

GT: {"N": 6} Pred: {"N": 12}

0.50

Candidates → Complex detail MOL 3D Viewer

#2869 2 Ru(2) — 3 candidates

GT: {"N": 6} Pred: {"N": 12}

0.50

Candidates → Complex detail MOL 3D Viewer

#2888 1 Ru(2) — 3 candidates

GT: {"N": 6} Pred: {"N": 12}

0.50

Candidates → Complex detail MOL 3D Viewer

#2889 2 Ru(2) — 3 candidates

GT: {"N": 6} Pred: {"N": 12}

0.50

Candidates → Complex detail MOL 3D Viewer

#2934 Ru3 Ru(2) — 3 candidates

GT: {"N": 5, "S": 1} Pred: {"S": 3, "N": 9}

0.50

Candidates → Complex detail MOL 3D Viewer

#2971 Ru1 Ru(2) — 3 candidates

GT: {"N": 6} Pred: {"N": 12}

0.50

Candidates → Complex detail MOL 3D Viewer

#2974 5 Ru(2) — 3 candidates

GT: {"N": 6} Pred: {"N": 12}

0.50

Candidates → Complex detail MOL 3D Viewer

#2976 7 Ru(2) — 3 candidates

GT: {"N": 6} Pred: {"N": 12}

0.50

Candidates → Complex detail MOL 3D Viewer

#2977 8 Ru(2) — 3 candidates

GT: {"N": 6} Pred: {"N": 12}

0.50

Candidates → Complex detail MOL 3D Viewer

#2978 9 Ru(2) — 3 candidates

GT: {"N": 6} Pred: {"N": 12}

0.50

Candidates → Complex detail MOL 3D Viewer

#2989 2a Ru(2) — 3 candidates

GT: {"O": 1, "N": 2, "P": 1} Pred: {"O": 3, "N": 4, "P": 1}

0.50

Candidates → Complex detail MOL 3D Viewer

#2990 2b Ru(2) — 3 candidates

GT: {"O": 1, "N": 2, "P": 1} Pred: {"O": 3, "N": 4, "P": 1}

0.50

Candidates → Complex detail MOL 3D Viewer

#2991 2c Ru(2) — 3 candidates

GT: {"O": 1, "N": 2, "P": 1} Pred: {"O": 3, "N": 4, "P": 1}

0.50

Candidates → Complex detail MOL 3D Viewer

#2999 Ru1 Ru(2) — 3 candidates

GT: {"N": 6} Pred: {"N": 12}

0.50

Candidates → Complex detail MOL 3D Viewer

#3000 Ru2 Ru(2) — 3 candidates

GT: {"N": 6} Pred: {"N": 12}

0.50

Candidates → Complex detail MOL 3D Viewer

#3004 1 Ru(2) — 4 candidates

GT: {"N": 7} Pred: {"N": 14}

0.50

Candidates → Complex detail MOL 3D Viewer

#3006 3 Ru(2) — 4 candidates

GT: {"N": 8} Pred: {"N": 16}

0.50

Candidates → Complex detail MOL 3D Viewer

#3007 4 Ru(2) — 4 candidates

GT: {"N": 7} Pred: {"N": 14}

0.50

Candidates → Complex detail MOL 3D Viewer

#3009 6 Ru(2) — 4 candidates

GT: {"N": 8} Pred: {"N": 16}

0.50

Candidates → Complex detail MOL 3D Viewer

#3019 2 Ru(2) — 3 candidates

GT: {"N": 1, "O": 1, "P": 4} Pred: {"O": 3, "N": 3, "P": 6}

0.50

Candidates → Complex detail MOL 3D Viewer

#3023 1 Ru(2) — 3 candidates

GT: {"N": 6} Pred: {"N": 12}

0.50

Candidates → Complex detail MOL 3D Viewer

#3024 2 Ru(2) — 3 candidates

GT: {"N": 6} Pred: {"N": 12}

0.50

Candidates → Complex detail MOL 3D Viewer

#3031 7 Ru(2) — 3 candidates

GT: {"N": 6} Pred: {"N": 12}

0.50

Candidates → Complex detail MOL 3D Viewer

#3032 8 Ru(2) — 3 candidates

GT: {"N": 6} Pred: {"N": 11, "S": 1}

0.50

Candidates → Complex detail MOL 3D Viewer

#3036 12 Ru(2) — 3 candidates

GT: {"N": 6} Pred: {"N": 12}

0.50

Candidates → Complex detail MOL 3D Viewer

#3037 Ru(bpy)2dmphenCl2 Ru(2) — 3 candidates

GT: {"N": 6} Pred: {"N": 12}

0.50

Candidates → Complex detail MOL 3D Viewer

#3041 5 Ru(2) — 3 candidates

GT: {"N": 6} Pred: {"N": 12}

0.50

Candidates → Complex detail MOL 3D Viewer

#3044 2 a Ru(2) — 3 candidates

GT: {"N": 6} Pred: {"N": 12}

0.50

Candidates → Complex detail MOL 3D Viewer

#3046 4 a Ru(2) — 3 candidates

GT: {"N": 6} Pred: {"N": 12}

0.50

Candidates → Complex detail MOL 3D Viewer

#3059 1 Ru(2) — 3 candidates

GT: {"N": 6} Pred: {"N": 12}

0.50

Candidates → Complex detail MOL 3D Viewer

#3060 2 Ru(2) — 3 candidates

GT: {"N": 6} Pred: {"N": 12}

0.50

Candidates → Complex detail MOL 3D Viewer

#3061 3 Ru(2) — 3 candidates

GT: {"N": 6} Pred: {"N": 12}

0.50

Candidates → Complex detail MOL 3D Viewer

#3062 4 Ru(2) — 3 candidates

GT: {"N": 6} Pred: {"N": 12}

0.50

Candidates → Complex detail MOL 3D Viewer

#3063 5 Ru(2) — 3 candidates

GT: {"N": 6} Pred: {"N": 12}

0.50

Candidates → Complex detail MOL 3D Viewer

#3064 6 Ru(2) — 3 candidates

GT: {"N": 6} Pred: {"N": 12}

0.50

Candidates → Complex detail MOL 3D Viewer

#3097 1 Ru(2) — 3 candidates

GT: {"N": 6} Pred: {"N": 12}

0.50

Candidates → Complex detail MOL 3D Viewer

#3100 II Ru(3) — 3 candidates

GT: {"N": 5, "O": 1} Pred: {"O": 3, "N": 3}

0.50

Candidates → Complex detail MOL 3D Viewer

#3116 C2 [Ru(phen)₂(dmbpy)]Cl₂ Ru(2) — 3 candidates

GT: {"N": 6} Pred: {"N": 12}

0.50

Candidates → Complex detail MOL 3D Viewer

#3128 2 Ru(2) — 3 candidates

GT: {"N": 6} Pred: {"N": 12}

0.50

Candidates → Complex detail MOL 3D Viewer

#3137 [Ru(bpy)2BC]Cl2,Complex 1 Ru(2) — 3 candidates

GT: {"N": 6} Pred: {"N": 12}

0.50

Candidates → Complex detail MOL 3D Viewer

#3138 1 Ru(2) — 3 candidates

GT: {"N": 3, "O": 1, "P": 2} Pred: {"N": 7, "O": 3, "P": 2}

0.50

Candidates → Complex detail MOL 3D Viewer

#3139 2 Ru(2) — 3 candidates

GT: {"N": 3, "O": 1, "P": 2} Pred: {"N": 7, "O": 3, "P": 2}

0.50

Candidates → Complex detail MOL 3D Viewer

#3148 4 Ru(2) — 3 candidates

GT: {"N": 6} Pred: {"N": 12}

0.50

Candidates → Complex detail MOL 3D Viewer

#3152 2 Ru(2) — 3 candidates

GT: {"S": 1, "N": 4, "P": 2} Pred: {"S": 3, "N": 7, "P": 1}

0.50

Candidates → Complex detail MOL 3D Viewer

#3160 7 Ru(2) — 3 candidates

GT: {"O": 2, "N": 4} Pred: {"O": 6, "N": 6}

0.50

Candidates → Complex detail MOL 3D Viewer

#3162 Ru2 Ru(2) — 3 candidates

GT: {"N": 6} Pred: {"N": 12}

0.50

Candidates → Complex detail MOL 3D Viewer

#3168 1 Ru(2) — 3 candidates

GT: {"N": 6} Pred: {"N": 12}

0.50

Candidates → Complex detail MOL 3D Viewer

D-MPNN Donor Prediction