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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
#873 RuL4 Ru(2) — 0 candidates
GT: {"N": 1, "O": 1} Pred:
0.00
Candidates → Complex detail MOL 3D Viewer
#874 RuL5 Ru(2) — 0 candidates
GT: {"N": 1, "O": 1} Pred:
0.00
Candidates → Complex detail MOL 3D Viewer
#875 1 Ru(2) — 0 candidates
GT: {"O": 1} Pred:
0.00
Candidates → Complex detail MOL 3D Viewer
#876 2,3,C4,3a,[Ru(η6 -p-cym)(bpy)Cl]Cl,5 Ru(2) — 0 candidates
GT: {"Cl": 1} Pred:
0.00
Candidates → Complex detail MOL 3D Viewer
#877 CB Ru(2) — 0 candidates
GT: {"O": 1} Pred:
0.00
Candidates → Complex detail MOL 3D Viewer
#878 CP Ru(2) — 30 candidates
GT: {"O": 1} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#1558 RAED-C,1,RM116,5,[Ru(η6-p-cymene)(en)CI]PF6,H11,С1,Ru-2,2,20,[(p-Cym)Ru(en)(Cl)].PF6 Ru(2) — 4 candidates
GT: N:2,Cl:1 Pred: C:6(eta6)
0.00
Candidates → Complex detail MOL 3D Viewer
#1712 C3 Ru(0) — 30 candidates
GT: {"Cl": 1} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#3027 10 Ru(0) — 17 candidates
GT: {"O": 1} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#3122 Complex 2 Ru(0) — 30 candidates
GT: {"O": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#3462 5h Ru(0) — 30 candidates
GT: {"Cl": 1} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#3658 MyriPyRu Ru(0) — 5 candidates
GT: {"O": 2} Pred: {"S": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4459 Complex 6 Ru(0) — 30 candidates
GT: {"O": 2} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4835 1a Ir(3) — 30 candidates
GT: {"N": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#4844 1 Ir(3) — 30 candidates
GT: {"N": 1, "O": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#4847 5 Ir(3) — 30 candidates
GT: {"O": 3} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4848 1 Ir(3) — 30 candidates
GT: {"O": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4850 3 Ir(3) — 30 candidates
GT: {"O": 2} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4853 Ir-9-Ac Ir(3) — 30 candidates
GT: {"O": 1} Pred: {"S": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4854 Ir1 Ir(3) — 30 candidates
GT: {"F": 1, "O": 1, "N": 6} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#4939 Ir5 Ir(0) — 30 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5146 4 Ir(0) — 30 candidates
GT: {"O": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#6095 4 Ir(0) — 29 candidates
GT: {"Cl": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#6130 2 Re(1) — 30 candidates
GT: {"O": 3} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#6131 Re1 Re(1) — 30 candidates
GT: {"O": 4} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#6132 Re2 Re(1) — 30 candidates
GT: {"O": 4} Pred: {"S": 1, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#6133 Re3 Re(1) — 30 candidates
GT: {"O": 4} Pred: {"P": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#6134 Re4 Re(1) — 30 candidates
GT: {"O": 4} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#6385 Os3 Os(2) — 30 candidates
GT: {"O": 2, "S": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#6386 Os7 Os(2) — 30 candidates
GT: {"O": 1, "S": 1} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#6387 Os13 Os(2) — 30 candidates
GT: {"O": 1, "S": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#6721 Rh2 Rh(3) — 30 candidates
GT: {"O": 3, "S": 1, "N": 1, "P": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#6722 Rh3 Rh(3) — 30 candidates
GT: {"O": 3, "S": 1, "N": 1, "P": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#6723 Complex 2 Rh(3) — 30 candidates
GT: {"Cl": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#6724 Complex 5 Rh(3) — 30 candidates
GT: {"Cl": 1} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#6725 Complex 8 Rh(3) — 30 candidates
GT: {"Cl": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#6726 Complex 7 Rh(3) — 30 candidates
GT: {"Cl": 1} Pred: {"S": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#6727 Rh-6 Rh(3) — 30 candidates
GT: {"O": 5} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#6973 3 Rh(0) — 6 candidates
GT: {"Cl": 2, "N": 1} Pred: {"S": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
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