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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
#678 4d Ru(2) — 30 candidates
GT: {"N": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#680 5b Ru(2) — 30 candidates
GT: {"S": 3, "O": 1} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#685 7 Ru(2) — 30 candidates
GT: {"N": 1} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#686 2aRu Ru(2) — 30 candidates
GT: {"O": 1} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#687 2bRu Ru(2) — 30 candidates
GT: {"O": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#688 2cRu Ru(2) — 30 candidates
GT: {"O": 1} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#689 2dRu Ru(2) — 30 candidates
GT: {"O": 1} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#690 2eRu Ru(2) — 30 candidates
GT: {"O": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#691 2fRu Ru(2) — 30 candidates
GT: {"O": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#692 3a Ru(2) — 30 candidates
GT: {"Cl": 2} Pred: {"O": 2, "P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#693 3b Ru(2) — 30 candidates
GT: {"Cl": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#695 QY2 Ru(2) — 30 candidates
GT: {"O": 3} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#696 QY3 Ru(2) — 30 candidates
GT: {"O": 3} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#697 QY4 Ru(2) — 30 candidates
GT: {"O": 3} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#698 cis-Ru(DMSO)4Cl2 Ru(2) — 4 candidates
GT: {"O": 4} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#700 2 Ru(3) — 17 candidates
GT: {"O": 7, "N": 3} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#705 1,8 Ru(2) — 30 candidates
GT: {"O": 4} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#706 2 Ru(2) — 30 candidates
GT: {"O": 4} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#707 3 Ru(2) — 30 candidates
GT: {"O": 4} Pred: {"N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#708 Ru-2 Ru(2) — 30 candidates
GT: {"O": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#711 Precursor Ru(2) — 30 candidates
GT: {"P": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#715 Ru1 Ru(2) — 27 candidates
GT: {"Cl": 1} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#716 Ru3 Ru(2) — 27 candidates
GT: {"Cl": 1} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#717 Ru5 Ru(2) — 23 candidates
GT: {"Cl": 1} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#719 [RuCl2(3,3’-dcbpy) (DMSO)2] Ru(2) — 21 candidates
GT: {"O": 6} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#721 2 Ru(2) — 30 candidates
GT: {"O": 2} Pred: {"N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#722 3 Ru(2) — 30 candidates
GT: {"O": 5} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#723 1 Ru(2) — 30 candidates
GT: {"O": 1, "P": 1} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#724 4 Ru(2) — 30 candidates
GT: {"O": 1, "P": 1} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#728 Complex 4 Ru(2) — 30 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#732 1A,[Ru(bpy)2 (66′bpy(OH)2 )]2+ Ru(2) — 30 candidates
GT: {"O": 1} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#733 2A Ru(2) — 30 candidates
GT: {"O": 1} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#734 3A Ru(2) — 30 candidates
GT: {"O": 1} Pred: {"N": 5}
0.00
Candidates → Complex detail MOL 3D Viewer
#735 4A Ru(2) — 30 candidates
GT: {"O": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#736 RCT Ru(2) — 30 candidates
GT: {"S": 1, "P": 1} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#737 TBzbp Ru(2) — 30 candidates
GT: {"S": 1} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#738 TBzph Ru(2) — 30 candidates
GT: {"S": 1} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#739 GRPA Ru(2) — 30 candidates
GT: {"O": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#740 GRBA Ru(2) — 30 candidates
GT: {"O": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#741 1 Ru(2) — 30 candidates
GT: {"O": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#744 1 Ru(2) — 6 candidates
GT: {"Cl": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#745 2 Ru(2) — 30 candidates
GT: {"O": 4} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#746 3 Ru(2) — 30 candidates
GT: {"O": 4} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#747 4 Ru(2) — 30 candidates
GT: {"O": 4} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#748 5 Ru(2) — 30 candidates
GT: {"O": 4} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#750 7 Ru(2) — 30 candidates
GT: {"O": 8} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#751 8 Ru(2) — 30 candidates
GT: {"O": 4} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#752 9 Ru(2) — 30 candidates
GT: {"O": 4} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#753 1a,1b Ru(2) — 30 candidates
GT: {"Cl": 1} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#754 2a,2b Ru(2) — 30 candidates
GT: {"Cl": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
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