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D-MPNN Donor Prediction

Single-ligand (939) — 939 complexes
rdmetallics.net (363)Sequential multi-lig (7058)Single-ligand (939)⇄ Compare
64
Exact (1.0)
451
Partial (>0)
424
No match
0.260
Mean score
Reset
#420 RANHC-VI Ru(2) — 30 candidates
GT: {"Cl": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#422 [Ru(cym)L1Cl],[Ru(cym)L1Cl] Ru(2) — 30 candidates
GT: {"O": 1, "N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#424 [Ru(C6H6)L2Cl] (5) Ru(2) — 30 candidates
GT: {"O": 1, "N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#425 [Ru(cym)L2Cl],[Ru(cym)L2Cl] Ru(2) — 30 candidates
GT: {"O": 1, "N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#426 [Ru(C6Me6)L2Cl] (2) Ru(2) — 30 candidates
GT: {"O": 1, "N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#435 1 Ru(2) — 30 candidates
GT: {"O": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#438 8c Ru(2) — 30 candidates
GT: {"O": 3} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#440 8e Ru(2) — 30 candidates
GT: {"O": 3} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#441 8f Ru(2) — 30 candidates
GT: {"O": 3} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#443 6 a Ru(2) — 22 candidates
GT: {"N": 1, "O": 5} Pred: {"P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#446 3 Ru(2) — 30 candidates
GT: {"O": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#448 2,2 a Ru(2) — 30 candidates
GT: {"N": 1, "O": 1, "S": 1} Pred: {"P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#452 6,8,[RuL3PTA] Ru(2) — 30 candidates
GT: {"N": 1, "O": 1} Pred: {"P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#454 8 Ru(2) — 29 candidates
GT: {"N": 1, "O": 2} Pred: {"P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#456 3 Ru(2) — 30 candidates
GT: {"N": 3, "O": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#457 1a Ru(2) — 30 candidates
GT: {"Cl": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#458 1d Ru(2) — 30 candidates
GT: {"Cl": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#459 1f Ru(2) — 30 candidates
GT: {"Cl": 1} Pred: {"S": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#460 1l Ru(2) — 30 candidates
GT: {"Cl": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#463 RuPhAEM Ru(2) — 30 candidates
GT: {"O": 1} Pred: {"N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#464 RuPhen,11,1,3k,[Ru(η6 -p-cym)(phen)Cl]Cl Ru(2) — 30 candidates
GT: {"Cl": 1} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#466 7 Ru(2) — 30 candidates
GT: {"O": 4, "S": 1, "P": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#467 8 Ru(2) — 30 candidates
GT: {"O": 3, "S": 1, "P": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#468 [(η6-p-cymene)Ru(L1)Cl]PF6 (Ru1) Ru(2) — 30 candidates
GT: {"Cl": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#469 [(η6-p-cymene)Ru(L2)Cl]PF6 (Ru2) Ru(2) — 30 candidates
GT: {"N": 1} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#470 [(η6-p-cymene)Ru(L3)Cl]PF 6 (Ru3) Ru(2) — 30 candidates
GT: {"N": 1} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#472 [(η6-p-cymene)Ru(Bipy)Cl]PF6 (Ru5) Ru(2) — 30 candidates
GT: {"Cl": 1} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#474 Ru2 Ru(2) — 30 candidates
GT: {"O": 4} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#476 Ru4 Ru(2) — 30 candidates
GT: {"O": 4} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#484 Ru0 Ru(2) — 30 candidates
GT: {"N": 5} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#485 Ru1 Ru(2) — 30 candidates
GT: {"F": 1, "N": 5} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#487 Ru3a Ru(2) — 30 candidates
GT: {"F": 3, "N": 5} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#488 Ru3b Ru(2) — 30 candidates
GT: {"F": 3, "N": 5} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#490 Ru5 Ru(2) — 30 candidates
GT: {"F": 3, "N": 3} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#498 1a,1 Ru(2) — 30 candidates
GT: {"O": 3} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#500 1c Ru(2) — 30 candidates
GT: {"O": 3} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#506 4 Ru(2) — 30 candidates
GT: {"O": 3} Pred: {"O": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#507 6 Ru(2) — 30 candidates
GT: {"O": 3} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#509 Ru-2a Ru(2) — 30 candidates
GT: {"O": 4} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#510 Ru-4 Ru(2) — 30 candidates
GT: {"O": 4} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#511 Ru-6 Ru(2) — 30 candidates
GT: {"O": 4} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#512 Ru-8 Ru(2) — 30 candidates
GT: {"O": 4} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#513 Ru-13 Ru(2) — 30 candidates
GT: {"Cl": 1} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#514 Ru-14 Ru(2) — 30 candidates
GT: {"Cl": 1} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#520 3b,3aCym Ru(2) — 30 candidates
GT: {"O": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#521 3h Ru(2) — 30 candidates
GT: {"O": 2} Pred: {"O": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#522 3i,2aCym Ru(2) — 30 candidates
GT: {"O": 2} Pred: {"O": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#539 1 Ru(2) — 30 candidates
GT: {"O": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#540 2 Ru(2) — 20 candidates
GT: {"O": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#541 3 Ru(2) — 30 candidates
GT: {"O": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
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