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

#702 4 Ru(3) — 5 candidates

GT: {"N": 5, "O": 3} Pred: {"N": 9, "O": 11}

0.40

Candidates → Complex detail MOL 3D Viewer

#775 Ru1 Ru(2) — 3 candidates

GT: {"N": 6} Pred: {"N": 15}

0.40

Candidates → Complex detail MOL 3D Viewer

#776 Ru2 Ru(2) — 3 candidates

GT: {"N": 6} Pred: {"N": 15}

0.40

Candidates → Complex detail MOL 3D Viewer

#781 Ru1 Ru(2) — 3 candidates

GT: {"N": 6} Pred: {"N": 15}

0.40

Candidates → Complex detail MOL 3D Viewer

#783 Ru3 Ru(2) — 3 candidates

GT: {"N": 6} Pred: {"N": 15}

0.40

Candidates → Complex detail MOL 3D Viewer

#842 1 Ru(2) — 3 candidates

GT: {"N": 6} Pred: {"N": 15}

0.40

Candidates → Complex detail MOL 3D Viewer

#843 2 Ru(2) — 3 candidates

GT: {"N": 6} Pred: {"N": 15}

0.40

Candidates → Complex detail MOL 3D Viewer

#882 Complex 2 Ru(2) — 3 candidates

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

0.40

Candidates → Complex detail MOL 3D Viewer

#1344 1 Ru(2) — 3 candidates

GT: {"N": 6} Pred: {"N": 15}

0.40

Candidates → Complex detail MOL 3D Viewer

#1347 4 Ru(2) — 3 candidates

GT: {"N": 6} Pred: {"N": 15}

0.40

Candidates → Complex detail MOL 3D Viewer

#1372 6 Ru(2) — 2 candidates

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

0.40

Candidates → Complex detail MOL 3D Viewer

#1373 7 Ru(2) — 2 candidates

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

0.40

Candidates → Complex detail MOL 3D Viewer

#1374 8 Ru(2) — 2 candidates

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

0.40

Candidates → Complex detail MOL 3D Viewer

#1405 1a Ru(2) — 2 candidates

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

0.40

Candidates → Complex detail MOL 3D Viewer

#1406 2a Ru(2) — 2 candidates

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

0.40

Candidates → Complex detail MOL 3D Viewer

#1407 3a Ru(2) — 2 candidates

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

0.40

Candidates → Complex detail MOL 3D Viewer

#1408 4a Ru(2) — 2 candidates

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

0.40

Candidates → Complex detail MOL 3D Viewer

#1409 5a Ru(2) — 2 candidates

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

0.40

Candidates → Complex detail MOL 3D Viewer

#1413 1 Ru(2) — 3 candidates

GT: {"N": 6} Pred: {"N": 15}

0.40

Candidates → Complex detail MOL 3D Viewer

#1414 2 Ru(2) — 3 candidates

GT: {"N": 6} Pred: {"N": 15}

0.40

Candidates → Complex detail MOL 3D Viewer

#1415 3 Ru(2) — 3 candidates

GT: {"N": 6} Pred: {"N": 15}

0.40

Candidates → Complex detail MOL 3D Viewer

#1492 1 Ru(3) — 2 candidates

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

0.40

Candidates → Complex detail MOL 3D Viewer

#1493 2 Ru(3) — 2 candidates

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

0.40

Candidates → Complex detail MOL 3D Viewer

#1494 3 Ru(3) — 2 candidates

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

0.40

Candidates → Complex detail MOL 3D Viewer

#1504 3 Ru(2) — 4 candidates

GT: {"N": 8} Pred: {"N": 20}

0.40

Candidates → Complex detail MOL 3D Viewer

#1507 6 Ru(2) — 4 candidates

GT: {"N": 8} Pred: {"N": 20}

0.40

Candidates → Complex detail MOL 3D Viewer

#1536 Complex 1,[Ru(bpy)2p-CPIP]2+ Ru(2) — 3 candidates

GT: {"N": 6} Pred: {"N": 15}

0.40

Candidates → Complex detail MOL 3D Viewer

#1537 Complex 2,[Ru(phen)2p-CPIP]2+ Ru(2) — 3 candidates

GT: {"N": 6} Pred: {"N": 15}

0.40

Candidates → Complex detail MOL 3D Viewer

#1539 1 Ru(2) — 3 candidates

GT: {"N": 6} Pred: {"N": 15}

0.40

Candidates → Complex detail MOL 3D Viewer

#1853 1 Ru(2) — 3 candidates

GT: {"N": 6} Pred: {"N": 15}

0.40

Candidates → Complex detail MOL 3D Viewer

#1883 3 Ru(2) — 3 candidates

GT: {"N": 6} Pred: {"N": 15}

0.40

Candidates → Complex detail MOL 3D Viewer

#2003 2 Ru(2) — 3 candidates

GT: {"N": 6} Pred: {"N": 15}

0.40

Candidates → Complex detail MOL 3D Viewer

#2111 1 Ru(2) — 3 candidates

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

0.40

Candidates → Complex detail MOL 3D Viewer

#2208 RuMet,Complex 5,Complex 1 Ru(2) — 3 candidates

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

0.40

Candidates → Complex detail MOL 3D Viewer

#2302 2 Ru(2) — 3 candidates

GT: {"N": 6} Pred: {"N": 15}

0.40

Candidates → Complex detail MOL 3D Viewer

#2332 2 Ru(3) — 2 candidates

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

0.40

Candidates → Complex detail MOL 3D Viewer

#2333 3 Ru(3) — 2 candidates

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

0.40

Candidates → Complex detail MOL 3D Viewer

#2374 [RuCl2(PTA)([9]aneS3)] (4) Ru(2) — 2 candidates

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

0.40

Candidates → Complex detail MOL 3D Viewer

#2377 1a Ru(3) — 4 candidates

GT: {"N": 4, "O": 4} Pred: {"O": 13, "N": 7}

0.40

Candidates → Complex detail MOL 3D Viewer

#2567 4 Ru(3) — 2 candidates

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

0.40

Candidates → Complex detail MOL 3D Viewer

#2788 RPB Ru(2) — 3 candidates

GT: {"N": 6} Pred: {"N": 15}

0.40

Candidates → Complex detail MOL 3D Viewer

#2881 2 Ru(2) — 3 candidates

GT: {"N": 6} Pred: {"N": 15}

0.40

Candidates → Complex detail MOL 3D Viewer

#3127 1 Ru(2) — 3 candidates

GT: {"N": 6} Pred: {"N": 15}

0.40

Candidates → Complex detail MOL 3D Viewer

#3174 3,Ru1 Ru(2) — 5 candidates

GT: {"N": 8} Pred: {"N": 20}

0.40

Candidates → Complex detail MOL 3D Viewer

#3269 3 Ru(2) — 2 candidates

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

0.40

Candidates → Complex detail MOL 3D Viewer

#3342 1 Ru(2) — 1 candidates

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

0.40

Candidates → Complex detail MOL 3D Viewer

#3343 2 Ru(2) — 1 candidates

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

0.40

Candidates → Complex detail MOL 3D Viewer

#3344 3 Ru(2) — 1 candidates

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

0.40

Candidates → Complex detail MOL 3D Viewer

#3345 4 Ru(2) — 1 candidates

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

0.40

Candidates → Complex detail MOL 3D Viewer

#3346 5 Ru(2) — 1 candidates

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

0.40

Candidates → Complex detail MOL 3D Viewer

D-MPNN Donor Prediction