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
#4945 Ir5,6 Ir(3) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4946 Ir6 Ir(3) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4947 Ir7 Ir(3) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4948 Ir8 Ir(3) — 3 candidates
GT: {"N": 3} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#4949 1 Ir(3) — 2 candidates
GT: {"N": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#4950 2 Ir(3) — 2 candidates
GT: {"N": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#4951 3 Ir(3) — 3 candidates
GT: {"N": 4} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#4952 4 Ir(3) — 3 candidates
GT: {"N": 4} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#4953 5,7,1 Ir(3) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4954 Ir1 Ir(3) — 4 candidates
GT: {"N": 6} Pred: {"N": 7}
0.00
Candidates → Complex detail MOL 3D Viewer
#4955 1 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 10}
0.00
Candidates → Complex detail MOL 3D Viewer
#4956 2 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4957 3 Ir(3) — 3 candidates
GT: {"N": 6} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#4958 1c,ppy-1,1b Ir(3) — 3 candidates
GT: {"N": 5} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#4959 2c,pq-1,3b Ir(3) — 3 candidates
GT: {"N": 5} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#4960 Ir1 Ir(3) — 3 candidates
GT: {"N": 7} Pred: {"N": 10, "O": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4961 Ir2 Ir(3) — 3 candidates
GT: {"N": 7} Pred: {"O": 2, "N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#4962 Ir3 Ir(3) — 3 candidates
GT: {"N": 8} Pred: {"O": 2, "N": 5}
0.00
Candidates → Complex detail MOL 3D Viewer
#4963 Ir4,IrC Ir(3) — 3 candidates
GT: {"N": 5} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#4964 Ir-NH2,Ir1,IrNH2 Ir(3) — 3 candidates
GT: {"N": 5} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#4965 Ferrilidium Ir(3) — 3 candidates
GT: {"N": 5} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#4966 1 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4967 2 Ir(3) — 3 candidates
GT: {"N": 8} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#4968 4 Ir(3) — 3 candidates
GT: {"N": 8} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#4969 5 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#4970 Ir1 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#4971 Ir2,Ir-Bpa Ir(3) — 3 candidates
GT: {"N": 5} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#4972 pbtIrSS Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"S": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#4973 ppyIrSS Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"S": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#4974 1 Ir(3) — 3 candidates
GT: {"N": 4} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4975 2 Ir(3) — 3 candidates
GT: {"N": 4} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4976 3 Ir(3) — 3 candidates
GT: {"N": 4} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4977 4 Ir(3) — 3 candidates
GT: {"N": 4} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4978 IrL1 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 4, "S": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4979 MitoIrL2 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 4, "S": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4980 Ir3 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"O": 2, "N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#4981 Ir2 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"O": 2, "N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#4982 5 Ir(3) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4983 Ir-1S Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 3, "S": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#4984 Ir-1N Ir(3) — 3 candidates
GT: {"N": 7} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#4985 1 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4986 2 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4987 3 Ir(3) — 2 candidates
GT: {"N": 2} Pred: {"S": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4988 6 Ir(3) — 2 candidates
GT: {"N": 2} Pred: {"S": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4989 9 Ir(3) — 2 candidates
GT: {"N": 2, "O": 1} Pred: {"S": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4990 5 Ir(3) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4991 8 Ir(3) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4992 9,4,1,2,3,5,6,7 Ir(3) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4993 10 Ir(3) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4994 11 Ir(3) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
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