homecomplexesD-MPNN

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
#399 4 Ru(2) — 30 candidates
GT: {"N": 6} Pred: {"N": 4}
0.67
Candidates → Complex detail MOL 3D Viewer
#413 Ru1 Ru(2) — 30 candidates
GT: {"N": 6} Pred: {"N": 4}
0.67
Candidates → Complex detail MOL 3D Viewer
#450 4,2a Ru(2) — 30 candidates
GT: {"N": 1, "O": 1, "S": 1} Pred: {"S": 1, "O": 1}
0.67
Candidates → Complex detail MOL 3D Viewer
#478 2 Ru(2) — 30 candidates
GT: {"N": 3} Pred: {"N": 2}
0.67
Candidates → Complex detail MOL 3D Viewer
#492 4a Ru(2) — 30 candidates
GT: {"O": 3} Pred: {"O": 2}
0.67
Candidates → Complex detail MOL 3D Viewer
#493 5a Ru(2) — 30 candidates
GT: {"O": 3} Pred: {"O": 2}
0.67
Candidates → Complex detail MOL 3D Viewer
#505 1 Ru(2) — 30 candidates
GT: {"O": 3} Pred: {"O": 2}
0.67
Candidates → Complex detail MOL 3D Viewer
#508 7 Ru(2) — 30 candidates
GT: {"O": 3} Pred: {"O": 2}
0.67
Candidates → Complex detail MOL 3D Viewer
#525 2a Ru(2) — 30 candidates
GT: {"O": 3} Pred: {"O": 2}
0.67
Candidates → Complex detail MOL 3D Viewer
#528 1a Ru(2) — 30 candidates
GT: {"O": 3} Pred: {"O": 2}
0.67
Candidates → Complex detail MOL 3D Viewer
#572 Complex 5 Ru(2) — 30 candidates
GT: {"O": 1, "N": 2} Pred: {"N": 1, "O": 1}
0.67
Candidates → Complex detail MOL 3D Viewer
#573 Complex 6 Ru(2) — 30 candidates
GT: {"O": 1, "N": 2} Pred: {"O": 1, "N": 1}
0.67
Candidates → Complex detail MOL 3D Viewer
#623 RuCCH Ru(2) — 30 candidates
GT: {"N": 2, "O": 4} Pred: {"O": 2, "N": 2}
0.67
Candidates → Complex detail MOL 3D Viewer
#626 II Ru(2) — 21 candidates
GT: {"S": 1, "N": 2} Pred: {"N": 1, "S": 1}
0.67
Candidates → Complex detail MOL 3D Viewer
#627 III Ru(2) — 21 candidates
GT: {"N": 2, "S": 1} Pred: {"S": 1, "N": 1}
0.67
Candidates → Complex detail MOL 3D Viewer
#638 Ru4 Ru(2) — 30 candidates
GT: {"O": 2, "N": 1} Pred: {"O": 1, "N": 1}
0.67
Candidates → Complex detail MOL 3D Viewer
#694 QY1 Ru(2) — 30 candidates
GT: {"O": 3} Pred: {"O": 2}
0.67
Candidates → Complex detail MOL 3D Viewer
#712 pCYRuL.,pCYRuL Ru(2) — 30 candidates
GT: {"N": 2} Pred: {"N": 3}
0.67
Candidates → Complex detail MOL 3D Viewer
#785 1 Ru(2) — 30 candidates
GT: {"S": 1, "P": 2} Pred: {"P": 2}
0.67
Candidates → Complex detail MOL 3D Viewer
#786 2,Ru2 Ru(2) — 30 candidates
GT: {"S": 1, "P": 2} Pred: {"P": 2}
0.67
Candidates → Complex detail MOL 3D Viewer
#802 8 Ru(2) — 30 candidates
GT: {"O": 1, "N": 5} Pred: {"N": 4}
0.67
Candidates → Complex detail MOL 3D Viewer
#824 4a Ru(2) — 30 candidates
GT: {"Cl": 2, "N": 4} Pred: {"N": 4}
0.67
Candidates → Complex detail MOL 3D Viewer
#826 Ru0,Ru14 Ru(2) — 30 candidates
GT: {"N": 1, "P": 2} Pred: {"P": 2}
0.67
Candidates → Complex detail MOL 3D Viewer
#855 FOR0D2 Ru(2) — 30 candidates
GT: {"N": 2} Pred: {"N": 3}
0.67
Candidates → Complex detail MOL 3D Viewer
#856 RuFF-NPs Ru(2) — 30 candidates
GT: {"N": 2} Pred: {"N": 3}
0.67
Candidates → Complex detail MOL 3D Viewer
#881 Complex 1 Ru(2) — 30 candidates
GT: {"S": 1, "P": 2} Pred: {"P": 2}
0.67
Candidates → Complex detail MOL 3D Viewer
#882 Complex 2 Ru(2) — 30 candidates
GT: {"O": 1, "P": 2} Pred: {"P": 2}
0.67
Candidates → Complex detail MOL 3D Viewer
#4838 2a Ir(3) — 30 candidates
GT: {"N": 2} Pred: {"N": 3}
0.67
Candidates → Complex detail MOL 3D Viewer
#386 1 Ru(3) — 30 candidates
GT: {"O": 1, "N": 2, "P": 2} Pred: {"N": 2, "O": 1}
0.60
Candidates → Complex detail MOL 3D Viewer
#551 Ru3 Ru(2) — 30 candidates
GT: {"N": 3} Pred: {"N": 5}
0.60
Candidates → Complex detail MOL 3D Viewer
#366 3b Ru(2) — 30 candidates
GT: {"N": 7} Pred: {"N": 4}
0.57
Candidates → Complex detail MOL 3D Viewer
#4856 Ir3 Ir(3) — 3 candidates
GT: {"F": 1, "O": 1, "N": 6} Pred: {"N": 9}
0.55
Candidates → Complex detail MOL 3D Viewer
#2 Ru-Cur,7,[(η6-p-Cymene) Ru(Curc)Cl],Ru‐Cur Ru(2) — 30 candidates
GT: {"O": 4} Pred: {"O": 2}
0.50
Candidates → Complex detail MOL 3D Viewer
#19 5 Ru(2) — 30 candidates
GT: {"O": 1, "S": 1} Pred: {"O": 1}
0.50
Candidates → Complex detail MOL 3D Viewer
#43 3b,1,3 Ru(2) — 30 candidates
GT: {"N": 1} Pred: {"N": 2}
0.50
Candidates → Complex detail MOL 3D Viewer
#44 3c,5,RuPOP,4 Ru(2) — 30 candidates
GT: {"N": 1} Pred: {"N": 2}
0.50
Candidates → Complex detail MOL 3D Viewer
#48 2b Ru(2) — 30 candidates
GT: {"O": 1} Pred: {"O": 1, "N": 1}
0.50
Candidates → Complex detail MOL 3D Viewer
#66 Ru7 Ru(2) — 30 candidates
GT: {"N": 2} Pred: {"N": 1}
0.50
Candidates → Complex detail MOL 3D Viewer
#70 1,4 Ru(2) — 30 candidates
GT: {"O": 4} Pred: {"O": 2}
0.50
Candidates → Complex detail MOL 3D Viewer
#71 2 Ru(2) — 30 candidates
GT: {"O": 4} Pred: {"O": 2}
0.50
Candidates → Complex detail MOL 3D Viewer
#83 [Ru(DIP)2(gen)](PF6) Ru(2) — 30 candidates
GT: {"O": 4} Pred: {"O": 2}
0.50
Candidates → Complex detail MOL 3D Viewer
#87 2 Ru(2) — 30 candidates
GT: {"N": 1, "P": 1} Pred: {"P": 1}
0.50
Candidates → Complex detail MOL 3D Viewer
#92 7 Ru(2) — 30 candidates
GT: {"P": 1} Pred: {"P": 2}
0.50
Candidates → Complex detail MOL 3D Viewer
#93 8 Ru(2) — 30 candidates
GT: {"N": 1, "P": 1} Pred: {"P": 1}
0.50
Candidates → Complex detail MOL 3D Viewer
#115 6 Ru(2) — 30 candidates
GT: {"O": 1, "N": 2} Pred: {"S": 1, "O": 1, "N": 1}
0.50
Candidates → Complex detail MOL 3D Viewer
#122 Ru2 Ru(2) — 30 candidates
GT: {"O": 2, "P": 2} Pred: {"P": 2}
0.50
Candidates → Complex detail MOL 3D Viewer
#123 Ru3 Ru(2) — 30 candidates
GT: {"O": 4, "P": 2} Pred: {"O": 1, "P": 2}
0.50
Candidates → Complex detail MOL 3D Viewer
#145 Ru(II)-1 Ru(2) — 30 candidates
GT: {"N": 1} Pred: {"N": 2}
0.50
Candidates → Complex detail MOL 3D Viewer
#146 Ru(II)-2 Ru(2) — 30 candidates
GT: {"N": 1} Pred: {"N": 2}
0.50
Candidates → Complex detail MOL 3D Viewer
#174 4e Ru(2) — 30 candidates
GT: {"N": 1} Pred: {"N": 2}
0.50
Candidates → Complex detail MOL 3D Viewer
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