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

#4508 Ru5a Ru(2) — 3 candidates

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

0.50

Candidates → Complex detail MOL 3D Viewer

#4511 Ru-3a Ru(2) — 3 candidates

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

0.50

Candidates → Complex detail MOL 3D Viewer

#4536 2 Ru(2) — 3 candidates

GT: {"O": 1, "N": 5} Pred: {"O": 6, "N": 6}

0.50

Candidates → Complex detail MOL 3D Viewer

#4561 3 Ru(2) — 3 candidates

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

0.50

Candidates → Complex detail MOL 3D Viewer

#4564 6,RPM Ru(2) — 3 candidates

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

0.50

Candidates → Complex detail MOL 3D Viewer

#4591 (2) Ru(2) — 3 candidates

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

0.50

Candidates → Complex detail MOL 3D Viewer

#4628 1 Ru(2) — 3 candidates

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

0.50

Candidates → Complex detail MOL 3D Viewer

#4631 Ru-ART-1 Ru(2) — 3 candidates

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

0.50

Candidates → Complex detail MOL 3D Viewer

#4632 Ru-ART-2 Ru(2) — 3 candidates

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

0.50

Candidates → Complex detail MOL 3D Viewer

#4634 Ru-ART-4 Ru(2) — 3 candidates

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

0.50

Candidates → Complex detail MOL 3D Viewer

#4635 Ru-ART-5 Ru(2) — 3 candidates

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

0.50

Candidates → Complex detail MOL 3D Viewer

#4637 Ru-1 Ru(2) — 3 candidates

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

0.50

Candidates → Complex detail MOL 3D Viewer

#4638 Ru-2 Ru(2) — 3 candidates

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

0.50

Candidates → Complex detail MOL 3D Viewer

#4640 Ru-4 Ru(2) — 3 candidates

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

0.50

Candidates → Complex detail MOL 3D Viewer

#4641 Ru-5 Ru(2) — 3 candidates

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

0.50

Candidates → Complex detail MOL 3D Viewer

#4666 RBM Ru(2) — 3 candidates

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

0.50

Candidates → Complex detail MOL 3D Viewer

#4725 1 Ru(2) — 3 candidates

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

0.50

Candidates → Complex detail MOL 3D Viewer

#4728 Ru-3 Ru(2) — 3 candidates

GT: {"N": 6} Pred: {"N": 9, "S": 3}

0.50

Candidates → Complex detail MOL 3D Viewer

#4729 Ru-4 Ru(2) — 3 candidates

GT: {"N": 6} Pred: {"N": 9, "S": 3}

0.50

Candidates → Complex detail MOL 3D Viewer

#4740 1 Ru(2) — 3 candidates

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

0.50

Candidates → Complex detail MOL 3D Viewer

#4765 [Ru(Gly-H)(dppb)(4'-MeObipy)]PF₆ (1) Ru(2) — 3 candidates

GT: {"N": 3, "O": 1, "P": 2} Pred: {"N": 8, "O": 2, "P": 2}

0.50

Candidates → Complex detail MOL 3D Viewer

#4774 [Ru(L-Tyr-H)(dppp)(4'-Mebipy)]PF₆ (10) Ru(2) — 3 candidates

GT: {"N": 3, "O": 1, "P": 2} Pred: {"N": 8, "O": 2, "P": 2}

0.50

Candidates → Complex detail MOL 3D Viewer

#4776 [Ru(L-Val-H)(dppb)(5'-Mebipy)]PF₆ (12) 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

#4780 cis-[RuCl₂(dppb)(5'-Mebipy)] (16) Ru(2) — 2 candidates

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

0.50

Candidates → Complex detail MOL 3D Viewer

#4808 S3-bpy Ru(2) — 3 candidates

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

0.50

Candidates → Complex detail MOL 3D Viewer

#4820 1 Ru(2) — 3 candidates

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

0.50

Candidates → Complex detail MOL 3D Viewer

#4821 2 Ru(2) — 3 candidates

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

0.50

Candidates → Complex detail MOL 3D Viewer

#4822 3 Ru(2) — 3 candidates

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

0.50

Candidates → Complex detail MOL 3D Viewer

#5601 1b Ir(3) — 3 candidates

GT: {"N": 4, "O": 2} Pred: {"N": 9, "O": 3}

0.50

Candidates → Complex detail MOL 3D Viewer

#6141 1 Re(1) — 1 candidates

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

0.50

Candidates → Complex detail MOL 3D Viewer

#6142 2,3 Re(1) — 1 candidates

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

0.50

Candidates → Complex detail MOL 3D Viewer

#6144 5 Re(1) — 1 candidates

GT: {"N": 5, "O": 3} Pred: {"N": 4}

0.50

Candidates → Complex detail MOL 3D Viewer

#6147 1 Re(1) — 1 candidates

GT: {"N": 5, "O": 3} Pred: {"N": 4}

0.50

Candidates → Complex detail MOL 3D Viewer

#6218 H2MePh Re(1) — 1 candidates

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

0.50

Candidates → Complex detail MOL 3D Viewer

#6221 H2Bnz2 Re(1) — 1 candidates

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

0.50

Candidates → Complex detail MOL 3D Viewer

#6225 2b Re(1) — 2 candidates

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

0.50

Candidates → Complex detail MOL 3D Viewer

#6284 fac-[Re(et-isonic)(Me2phen)(CO)3]+ Re(1) — 2 candidates

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

0.50

Candidates → Complex detail MOL 3D Viewer

#6285 fac-[Re(et-isonic)(Cl2phen)(CO)3]+ Re(1) — 2 candidates

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

0.50

Candidates → Complex detail MOL 3D Viewer

#6297 1a Re(1) — 2 candidates

GT: {"N": 3, "O": 2} Pred: {"N": 6, "O": 1}

0.50

Candidates → Complex detail MOL 3D Viewer

#6340 5 Re(1) — 2 candidates

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

0.50

Candidates → Complex detail MOL 3D Viewer

#6410 9 Os(2) — 3 candidates

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

0.50

Candidates → Complex detail MOL 3D Viewer

#6614 4 Os(2) — 3 candidates

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

0.50

Candidates → Complex detail MOL 3D Viewer

#6655 1 Os(4) — 1 candidates

GT: {"N": 2} Pred: {"N": 1}

0.50

Candidates → Complex detail MOL 3D Viewer

#6656 2 Os(4) — 1 candidates

GT: {"N": 2} Pred: {"N": 1}

0.50

Candidates → Complex detail MOL 3D Viewer

#6702 Os-Me Os(2) — 3 candidates

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

0.50

Candidates → Complex detail MOL 3D Viewer

#6703 Os-tBu Os(2) — 3 candidates

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

0.50

Candidates → Complex detail MOL 3D Viewer

#6704 Os-Nonly Os(2) — 3 candidates

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

0.50

Candidates → Complex detail MOL 3D Viewer

#6846 6 Rh(3) — 2 candidates

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

0.50

Candidates → Complex detail MOL 3D Viewer

#6870 Rh-12 Rh(3) — 1 candidates

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

0.50

Candidates → Complex detail MOL 3D Viewer

#6875 9 Rh(3) — 2 candidates

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

0.50

Candidates → Complex detail MOL 3D Viewer

D-MPNN Donor Prediction