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
#4895 Ir1,3 Ir(3) — 3 candidates
GT: {"N": 2, "P": 2} Pred: {"P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4896 Ir2 Ir(3) — 3 candidates
GT: {"N": 2, "P": 2} Pred: {"P": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4897 Ir3 Ir(3) — 3 candidates
GT: {"N": 2, "P": 2} Pred: {"P": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4898 Ir4 Ir(3) — 3 candidates
GT: {"N": 2, "P": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#4899 1 Ir(3) — 3 candidates
GT: {"N": 5} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4900 2 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4901 3 Ir(3) — 3 candidates
GT: {"N": 5} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#4902 4 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#4903 5,6,Ir1,1 Ir(3) — 3 candidates
GT: {"N": 4} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4904 Ir1 Ir(3) — 3 candidates
GT: {"N": 6} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#4905 Ir1 Ir(3) — 3 candidates
GT: {"N": 7} Pred: {"N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#4906 Ir2 Ir(3) — 3 candidates
GT: {"N": 7} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#4907 Ir3 Ir(3) — 3 candidates
GT: {"N": 7} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#4908 Ir1 Ir(3) — 3 candidates
GT: {"N": 8} Pred: {"N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#4909 Ir2 Ir(3) — 3 candidates
GT: {"N": 8} Pred: {"N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#4910 Ir3 Ir(3) — 3 candidates
GT: {"N": 8} Pred: {"N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#4911 1 Ir(3) — 3 candidates
GT: {"N": 7} Pred: {"N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#4912 2 Ir(3) — 3 candidates
GT: {"N": 7} Pred: {"N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#4913 3 Ir(3) — 3 candidates
GT: {"N": 7} Pred: {"N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#4914 Ir1,1,Ir-1,IrPpy@OH Ir(3) — 3 candidates
GT: {"N": 4} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#4915 Ir2,Ir-2,IrThpy@OH Ir(3) — 3 candidates
GT: {"N": 4} Pred: {"N": 7, "S": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4916 1 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#4917 2 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#4918 3 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 7}
0.00
Candidates → Complex detail MOL 3D Viewer
#4919 Ir1 Ir(3) — 3 candidates
GT: {"N": 5} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#4920 Ir2 Ir(3) — 3 candidates
GT: {"N": 5} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#4921 Ir3 Ir(3) — 3 candidates
GT: {"N": 5} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4922 Ir4 Ir(3) — 3 candidates
GT: {"N": 5} Pred: {"N": 7, "S": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4923 1,Ir2 Ir(3) — 3 candidates
GT: {"N": 8} Pred: {"N": 10}
0.00
Candidates → Complex detail MOL 3D Viewer
#4924 2 Ir(3) — 3 candidates
GT: {"N": 8} Pred: {"N": 9}
0.00
Candidates → Complex detail MOL 3D Viewer
#4925 3 Ir(3) — 3 candidates
GT: {"N": 8} Pred: {"N": 9}
0.00
Candidates → Complex detail MOL 3D Viewer
#4926 Ir1 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#4927 Ir2 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#4928 Ir3 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#4929 Ir1 Ir(3) — 3 candidates
GT: {"N": 6} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#4930 Ir2 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#4931 1 Ir(3) — 2 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#4932 2 Ir(3) — 2 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#4933 3 Ir(3) — 2 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#4934 4 Ir(3) — 2 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#4935 Ir1 Ir(3) — 2 candidates
GT: {"N": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#4936 Ir2 Ir(3) — 2 candidates
GT: {"N": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#4937 Ir3 Ir(3) — 2 candidates
GT: {"N": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#4938 Ir4,12 Ir(3) — 2 candidates
GT: {"N": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#4939 Ir5 Ir(3) — 2 candidates
GT: {"N": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#4940 Ir6 Ir(3) — 2 candidates
GT: {"N": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#4941 Ir1,4 Ir(3) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4942 Ir2 Ir(3) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4943 Ir3 Ir(3) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4944 Ir4 Ir(3) — 3 candidates
GT: {"N": 3} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
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