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

#1446 ruthenium (II) complex Ru(2) — 3 candidates

GT: {"N": 8} Pred: {"N": 9}

0.89

Candidates → Complex detail MOL 3D Viewer

#2581 1 Ru(2) — 2 candidates

GT: {"N": 8} Pred: {"N": 9}

0.89

Candidates → Complex detail MOL 3D Viewer

#2582 2 Ru(2) — 2 candidates

GT: {"N": 8} Pred: {"N": 9}

0.89

Candidates → Complex detail MOL 3D Viewer

#2689 Λ-1,Δ-1 Ru(2) — 3 candidates

GT: {"N": 8} Pred: {"N": 9}

0.89

Candidates → Complex detail MOL 3D Viewer

#2724 RC2 Ru(2) — 3 candidates

GT: {"N": 8} Pred: {"N": 9}

0.89

Candidates → Complex detail MOL 3D Viewer

#3095 Ru.Nap Ru(2) — 3 candidates

GT: {"N": 8} Pred: {"N": 9}

0.89

Candidates → Complex detail MOL 3D Viewer

#3150 Ru-1 Ru(2) — 3 candidates

GT: {"N": 8} Pred: {"N": 9}

0.89

Candidates → Complex detail MOL 3D Viewer

#3371 4,2 Ru(2) — 3 candidates

GT: {"N": 8} Pred: {"N": 9}

0.89

Candidates → Complex detail MOL 3D Viewer

#3497 1 Ru(2) — 3 candidates

GT: {"N": 8} Pred: {"N": 9}

0.89

Candidates → Complex detail MOL 3D Viewer

#3498 2 Ru(2) — 3 candidates

GT: {"N": 8} Pred: {"N": 9}

0.89

Candidates → Complex detail MOL 3D Viewer

#3499 3 Ru(2) — 3 candidates

GT: {"N": 8} Pred: {"N": 9}

0.89

Candidates → Complex detail MOL 3D Viewer

#3747 [Ru(apy)(tpy)(CH3CN)] (ClO4)2 (1c) Ru(2) — 3 candidates

GT: {"N": 8} Pred: {"N": 9}

0.89

Candidates → Complex detail MOL 3D Viewer

#4067 2 Ru(2) — 3 candidates

GT: {"N": 8} Pred: {"N": 9}

0.89

Candidates → Complex detail MOL 3D Viewer

#4503 Ru6 Ru(2) — 3 candidates

GT: {"N": 8} Pred: {"N": 9}

0.89

Candidates → Complex detail MOL 3D Viewer

#4506 Ru9 Ru(2) — 3 candidates

GT: {"N": 8} Pred: {"N": 9}

0.89

Candidates → Complex detail MOL 3D Viewer

#4507 Ru5 Ru(2) — 3 candidates

GT: {"N": 8} Pred: {"N": 9}

0.89

Candidates → Complex detail MOL 3D Viewer

#4815 Ru,RuOH Ru(2) — 3 candidates

GT: {"N": 8} Pred: {"N": 9}

0.89

Candidates → Complex detail MOL 3D Viewer

#142 2 Ru(2) — 2 candidates

GT: {"N": 8} Pred: {"N": 7}

0.88

Candidates → Complex detail MOL 3D Viewer

#788 Ru(tpy)DPPZ Ru(2) — 2 candidates

GT: {"N": 7} Pred: {"N": 8}

0.88

Candidates → Complex detail MOL 3D Viewer

#824 4a Ru(2) — 2 candidates

GT: {"N": 8} Pred: {"N": 7}

0.88

Candidates → Complex detail MOL 3D Viewer

#1158 10 Ru(3) — 3 candidates

GT: {"N": 6, "O": 2} Pred: {"N": 5, "O": 2}

0.88

Candidates → Complex detail MOL 3D Viewer

#1161 13 Ru(3) — 3 candidates

GT: {"N": 6, "O": 2} Pred: {"N": 5, "O": 2}

0.88

Candidates → Complex detail MOL 3D Viewer

#1193 Ru-2 Ru(2) — 2 candidates

GT: {"N": 8} Pred: {"N": 7}

0.88

Candidates → Complex detail MOL 3D Viewer

#2707 1 Ru(2) — 3 candidates

GT: {"S": 2, "O": 2, "N": 3} Pred: {"O": 3, "S": 2, "N": 3}

0.88

Candidates → Complex detail MOL 3D Viewer

#2923 Ru3 Ru(2) — 2 candidates

GT: {"N": 7} Pred: {"N": 8}

0.88

Candidates → Complex detail MOL 3D Viewer

#3177 Ru3 Ru(2) — 2 candidates

GT: {"N": 8} Pred: {"N": 7}

0.88

Candidates → Complex detail MOL 3D Viewer

#3696 2c Ru(2) — 2 candidates

GT: {"N": 7} Pred: {"N": 8}

0.88

Candidates → Complex detail MOL 3D Viewer

#141 1 Ru(2) — 2 candidates

GT: {"N": 7} Pred: {"N": 6}

0.86

Candidates → Complex detail MOL 3D Viewer

#144 4 Ru(2) — 2 candidates

GT: {"N": 6} Pred: {"N": 7}

0.86

Candidates → Complex detail MOL 3D Viewer

#246 Ru1 Ru(2) — 3 candidates

GT: {"N": 6} Pred: {"N": 7}

0.86

Candidates → Complex detail MOL 3D Viewer

#247 Ru2 Ru(2) — 3 candidates

GT: {"N": 6} Pred: {"N": 7}

0.86

Candidates → Complex detail MOL 3D Viewer

#719 [RuCl2(3,3’-dcbpy) (DMSO)2] Ru(2) — 3 candidates

GT: {"S": 2, "O": 2, "N": 2} Pred: {"O": 3, "S": 2, "N": 2}

0.86

Candidates → Complex detail MOL 3D Viewer

#841 C3 Ru(2) — 2 candidates

GT: {"O": 1, "N": 6} Pred: {"N": 6}

0.86

Candidates → Complex detail MOL 3D Viewer

#1338 13 Ru(2) — 2 candidates

GT: {"N": 6} Pred: {"N": 7}

0.86

Candidates → Complex detail MOL 3D Viewer

#1440 1 Ru(3) — 3 candidates

GT: {"N": 6} Pred: {"N": 7}

0.86

Candidates → Complex detail MOL 3D Viewer

#1442 3 Ru(3) — 3 candidates

GT: {"N": 6} Pred: {"N": 7}

0.86

Candidates → Complex detail MOL 3D Viewer

#1850 4 Ru(2) — 2 candidates

GT: {"N": 6} Pred: {"N": 7}

0.86

Candidates → Complex detail MOL 3D Viewer

#2901 Ru-bqp-ester Ru(2) — 2 candidates

GT: {"N": 6} Pred: {"N": 7}

0.86

Candidates → Complex detail MOL 3D Viewer

#3549 α-NO₂phen-7 Ru(2) — 2 candidates

GT: {"N": 6, "O": 1} Pred: {"N": 6}

0.86

Candidates → Complex detail MOL 3D Viewer

#3745 [Ru(apy)(tpy)Cl](ClO4) (1a) Ru(2) — 2 candidates

GT: {"N": 7} Pred: {"N": 6}

0.86

Candidates → Complex detail MOL 3D Viewer

#3746 [Ru(apy)(tpy)(H2O)](ClO4)2·2H2O (1b) Ru(2) — 2 candidates

GT: {"N": 7} Pred: {"N": 6}

0.86

Candidates → Complex detail MOL 3D Viewer

#3813 2 Ru(2) — 2 candidates

GT: {"N": 6} Pred: {"N": 7}

0.86

Candidates → Complex detail MOL 3D Viewer

#3826 4,2 Ru(2) — 3 candidates

GT: {"N": 6} Pred: {"N": 7}

0.86

Candidates → Complex detail MOL 3D Viewer

#4235 5 Ru(3) — 2 candidates

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

0.86

Candidates → Complex detail MOL 3D Viewer

#4236 6 Ru(3) — 2 candidates

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

0.86

Candidates → Complex detail MOL 3D Viewer

#4238 8 Ru(3) — 2 candidates

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

0.86

Candidates → Complex detail MOL 3D Viewer

#6758 17 Rh(3) — 2 candidates

GT: {"N": 6} Pred: {"N": 7}

0.86

Candidates → Complex detail MOL 3D Viewer

#390 5 Ru(2) — 2 candidates

GT: {"N": 5, "P": 1} Pred: {"N": 4, "P": 1}

0.83

Candidates → Complex detail MOL 3D Viewer

#694 QY1 Ru(2) — 3 candidates

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

0.83

Candidates → Complex detail MOL 3D Viewer

#1087 1 Ru(2) — 2 candidates

GT: {"N": 5} Pred: {"N": 6}

0.83

Candidates → Complex detail MOL 3D Viewer

D-MPNN Donor Prediction