homecomplexesD-MPNN

D-MPNN Donor Prediction

Sequential multi-lig (7058) — 7058 complexes
rdmetallics.net (363)Sequential multi-lig (7058)Single-ligand (939)⇄ Compare
87
Exact (1.0)
2026
Partial (>0)
4945
No match
0.159
Mean score
Reset
#4446 RuCp Ru(2) — 3 candidates
GT: {"P": 2} Pred: {"P": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#4447 1 Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4450 [Ru(η6 -tol)(L)(H2O)]+ Ru(2) — 2 candidates
GT: {"O": 2, "N": 2} Pred: {"O": 1, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4451 [Ru(η6 -p-cym)(L)(H2O)]+ Ru(2) — 2 candidates
GT: {"O": 2, "N": 2} Pred: {"O": 1, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4452 1cRu,2bRu Ru(2) — 3 candidates
GT: {"N": 2, "P": 2} Pred: {"P": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#4453 4 Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4454 5 Ru(2) — 2 candidates
GT: {"N": 5} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4455 6 Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4456 Complex 1 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"O": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4457 Complex 2 Ru(2) — 2 candidates
GT: {"N": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#4458 Complex 5 Ru(2) — 2 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#4459 Complex 6 Ru(2) — 2 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#4460 4 Ru(2) — 2 candidates
GT: {"P": 2} Pred: {"P": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#4463 [RuL2PTA] Ru(2) — 3 candidates
GT: {"N": 4, "P": 1, "O": 1} Pred: {"P": 3, "O": 1, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4464 [RuL4PTA] Ru(2) — 3 candidates
GT: {"N": 4, "P": 1, "O": 1} Pred: {"P": 3, "O": 1, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4465 [RuL5PTA] Ru(2) — 3 candidates
GT: {"N": 4, "P": 1, "O": 1} Pred: {"P": 3, "O": 1, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4466 1 Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"S": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4467 2 Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 2, "S": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4468 VI Ru(2) — 2 candidates
GT: {"O": 2, "N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4469 VII Ru(2) — 2 candidates
GT: {"O": 1, "N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4470 VIII Ru(2) — 2 candidates
GT: {"O": 2, "N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4471 X Ru(2) — 2 candidates
GT: {"O": 2, "N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4479 MA-bpy-Ru Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"O": 1, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4480 MA-bip-Ru Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#4482 trans-[Ru(NO)(NH3)4(py)](BF4)⋅3H2O Ru(2) — 0 candidates
GT: {"N": 2} Pred: {}
0.00
Candidates → Complex detail MOL 3D Viewer
#4483 1 Ru(2) — 2 candidates
GT: {"N": 6} Pred: {"N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#4484 10 Ru(2) — 2 candidates
GT: {"O": 1} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4485 11·BF4 Ru(2) — 3 candidates
GT: {"N": 3, "P": 1, "O": 1} Pred: {"P": 3, "O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4486 12·BF4 Ru(2) — 3 candidates
GT: {"N": 3, "P": 1, "O": 1} Pred: {"P": 3, "O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4487 13·BF4 Ru(2) — 3 candidates
GT: {"N": 3, "P": 1, "O": 1} Pred: {"P": 3, "O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4488 14·BF4 Ru(2) — 3 candidates
GT: {"N": 3, "P": 1, "O": 1} Pred: {"P": 3, "O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4489 Ru(1) Ru(2) — 2 candidates
GT: {"N": 1} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4490 Ru(2) Ru(2) — 2 candidates
GT: {"N": 1} Pred: {"N": 1, "S": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4491 Ru(3) Ru(2) — 2 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#4492 Ru(4) Ru(2) — 2 candidates
GT: {"N": 1} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4495 1 Ru(2) — 2 candidates
GT: {"N": 1, "O": 1} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4496 2 Ru(2) — 2 candidates
GT: {"N": 1, "O": 1} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4497 3 Ru(2) — 2 candidates
GT: {"N": 1, "O": 1} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4498 4 Ru(2) — 2 candidates
GT: {"N": 1, "O": 1} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4499 Ru1 Ru(2) — 3 candidates
GT: {"N": 7} Pred: {"N": 11}
0.00
Candidates → Complex detail MOL 3D Viewer
#4500 Ru2 Ru(2) — 3 candidates
GT: {"N": 7} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#4501 Ru3 Ru(2) — 3 candidates
GT: {"N": 7} Pred: {"N": 7}
0.00
Candidates → Complex detail MOL 3D Viewer
#4505 Ru8 Ru(2) — 3 candidates
GT: {"N": 8} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#4509 3a Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#4510 4a Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#4512 Ru-1b,1b Ru(2) — 4 candidates
GT: {"N": 6} Pred: {"N": 14}
0.00
Candidates → Complex detail MOL 3D Viewer
#4513 Ru-2b Ru(2) — 4 candidates
GT: {"N": 6} Pred: {"N": 14}
0.00
Candidates → Complex detail MOL 3D Viewer
#4519 1 Ru(2) — 2 candidates
GT: {"N": 6} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#4520 2 Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#4521 1 Ru(2) — 2 candidates
GT: {"N": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
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