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
#4845 2 Ir(3) — 2 candidates
GT: {"N": 1} Pred: {"O": 1, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4846 3 Ir(3) — 2 candidates
GT: {"N": 1} Pred: {"O": 2, "N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4847 5 Ir(3) — 2 candidates
GT: {"O": 1} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4848 1 Ir(3) — 3 candidates
GT: {"N": 4} Pred: {"N": 5}
0.00
Candidates → Complex detail MOL 3D Viewer
#4849 2 Ir(3) — 3 candidates
GT: {"N": 4} Pred: {"N": 5}
0.00
Candidates → Complex detail MOL 3D Viewer
#4850 3 Ir(3) — 3 candidates
GT: {"N": 4} Pred: {"N": 7}
0.00
Candidates → Complex detail MOL 3D Viewer
#4851 4 Ir(3) — 3 candidates
GT: {"N": 4} Pred: {"N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#4852 Ir-NH2 Ir(3) — 3 candidates
GT: {"N": 5} Pred: {"N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#4853 Ir-9-Ac Ir(3) — 3 candidates
GT: {"N": 5} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#4854 Ir1 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#4855 Ir2 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 8}
0.00
Candidates → Complex detail MOL 3D Viewer
#4856 Ir3 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#4857 Ir1a,1,Ir1 Ir(3) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4858 Ir2a Ir(3) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4859 Ir3a Ir(3) — 2 candidates
GT: {"N": 3} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#4860 Ir1b Ir(3) — 2 candidates
GT: {"N": 3} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#4861 Ir2b Ir(3) — 2 candidates
GT: {"N": 3} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#4862 Ir3b Ir(3) — 2 candidates
GT: {"N": 4} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#4863 [Ir(dfpp)2(picCOOH)]+ Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#4864 Ir1 Ir(3) — 3 candidates
GT: {"S": 1, "N": 2} Pred: {"S": 3, "N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#4865 Ir2 Ir(3) — 3 candidates
GT: {"S": 1, "N": 2} Pred: {"S": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#4866 Ir3,Ir1@MORDTC Ir(3) — 3 candidates
GT: {"S": 1, "N": 3} Pred: {"S": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#4867 Ir4,Ir1@DEDTC Ir(3) — 3 candidates
GT: {"N": 3, "S": 1} Pred: {"S": 3, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4868 Ir1 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#4869 Ir2 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#4870 Ir1 Ir(3) — 3 candidates
GT: {"O": 1, "N": 6} Pred: {"O": 3, "N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#4871 Ir2,Ir1 Ir(3) — 3 candidates
GT: {"O": 1, "N": 6} Pred: {"O": 3, "N": 7}
0.00
Candidates → Complex detail MOL 3D Viewer
#4872 Ir1 Ir(3) — 4 candidates
GT: {"N": 6} Pred: {"N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#4873 Ir2,Ir1 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4874 [1a]Cl Ir(3) — 3 candidates
GT: {"N": 5} Pred: {"N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#4875 [2a]Cl Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#4876 [3a]Cl Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#4877 [4a]Cl Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#4878 [1b]Cl Ir(3) — 3 candidates
GT: {"N": 5} Pred: {"O": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4879 [2b]Cl Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4880 [3b]Cl Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4881 [4b]Cl Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"O": 1, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4882 Ir1 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 7}
0.00
Candidates → Complex detail MOL 3D Viewer
#4883 Ir2 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#4884 Ir3 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#4885 Ir1 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#4886 Ir2 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 5}
0.00
Candidates → Complex detail MOL 3D Viewer
#4887 1,14 Ir(3) — 2 candidates
GT: {"O": 1, "N": 1} Pred: {"O": 1, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4888 2 Ir(3) — 2 candidates
GT: {"O": 1, "N": 1} Pred: {"O": 1, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4889 3 Ir(3) — 2 candidates
GT: {"O": 1, "N": 1} Pred: {"O": 1, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4890 4 Ir(3) — 2 candidates
GT: {"O": 1, "N": 1} Pred: {"O": 1, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4891 5 Ir(3) — 2 candidates
GT: {"N": 1, "O": 1} Pred: {"N": 1, "O": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4892 6 Ir(3) — 2 candidates
GT: {"O": 1, "N": 1} Pred: {"O": 1, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4893 7 Ir(3) — 2 candidates
GT: {"O": 1, "N": 1} Pred: {"O": 1, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4894 8 Ir(3) — 2 candidates
GT: {"O": 1, "N": 1} Pred: {"O": 2, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
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