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
#5758 Ir1 Ir(3) — 3 candidates
GT: {"N": 7} Pred: {"N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#5759 7b Ir(3) — 2 candidates
GT: {"N": 5} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#5760 Ir-TPE Ir(3) — 3 candidates
GT: {"N": 5} Pred: {"N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#5761 IrC Ir(3) — 3 candidates
GT: {"N": 5} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#5762 IrF Ir(3) — 3 candidates
GT: {"N": 5} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#5763 Ir-dF Ir(3) — 3 candidates
GT: {"N": 4} Pred: {"N": 8}
0.00
Candidates → Complex detail MOL 3D Viewer
#5764 IrTS1 Ir(3) — 2 candidates
GT: {"N": 2} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#5765 IrTS2 Ir(3) — 2 candidates
GT: {"N": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5766 IrTS3 Ir(3) — 2 candidates
GT: {"N": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5767 IrTS4 Ir(3) — 2 candidates
GT: {"N": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5768 IrS Ir(3) — 2 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5769 C1 Ir(3) — 3 candidates
GT: {"N": 5} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5770 C2 Ir(3) — 3 candidates
GT: {"N": 5} Pred: {"N": 7}
0.00
Candidates → Complex detail MOL 3D Viewer
#5771 C3 Ir(3) — 3 candidates
GT: {"N": 5} Pred: {"N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#5772 Ir-H Ir(3) — 3 candidates
GT: {"N": 5} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5773 Ir-Me Ir(3) — 3 candidates
GT: {"N": 5} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#5774 2 Ir(3) — 2 candidates
GT: {"N": 2} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#5775 4 Ir(3) — 2 candidates
GT: {"N": 3} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5776 Ir-IBP-1 Ir(3) — 3 candidates
GT: {"N": 4} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#5777 Ir-IBP-2 Ir(3) — 3 candidates
GT: {"N": 4} Pred: {"N": 7, "S": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#5778 Ir1 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5779 Ir2 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#5780 Ir3 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#5781 Ir4 Ir(3) — 3 candidates
GT: {"N": 8} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#5782 IrPpy@L1 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#5783 IrPpy@L2 Ir(3) — 3 candidates
GT: {"N": 4} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#5784 IrBzq@L1 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#5785 IrBzq@L2 Ir(3) — 3 candidates
GT: {"N": 4} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#5786 IrThpy@L1 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 7, "S": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#5787 IrThpy@L2 Ir(3) — 3 candidates
GT: {"N": 4} Pred: {"N": 7, "S": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#5788 IrBzq@OH Ir(3) — 3 candidates
GT: {"N": 4} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#5789 Ir1 Ir(3) — 3 candidates
GT: {"N": 4} Pred: {"N": 8}
0.00
Candidates → Complex detail MOL 3D Viewer
#5790 Ir2 Ir(3) — 3 candidates
GT: {"N": 4} Pred: {"N": 9, "S": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5791 Ir-Mito1 Ir(3) — 3 candidates
GT: {"N": 5} Pred: {"N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#5792 Ir-Mito2 Ir(3) — 3 candidates
GT: {"N": 5} Pred: {"N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#5793 B2 Ir(3) — 3 candidates
GT: {"N": 4, "O": 1} Pred: {"N": 3, "S": 2, "O": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#5794 C2 Ir(3) — 3 candidates
GT: {"N": 5} Pred: {"N": 5, "S": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5795 Ir-1 Ir(3) — 3 candidates
GT: {"O": 1, "N": 4} Pred: {"O": 3, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#5796 Ir-2 Ir(3) — 3 candidates
GT: {"O": 1, "N": 2} Pred: {"O": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#5797 Cym-Ir-EDB Ir(3) — 3 candidates
GT: {"N": 4, "O": 2} Pred: {"N": 7, "O": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#5798 Ir1 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 6, "S": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#5799 Ir2 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 5, "S": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5800 Ir-N,N Py,Me Ir(3) — 2 candidates
GT: {"N": 5} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#5801 Ir-N,N Py,Py Ir(3) — 2 candidates
GT: {"N": 6} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#5802 Ir-N,N Py,Ph Ir(3) — 2 candidates
GT: {"N": 5} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#5803 Ir-C,N Ph,Me Ir(3) — 2 candidates
GT: {"N": 4} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5804 Ir-NPX Ir(3) — 3 candidates
GT: {"N": 5} Pred: {"N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#5805 1 Ir(3) — 3 candidates
GT: {"N": 2, "P": 2} Pred: {"P": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5806 2 Ir(3) — 3 candidates
GT: {"P": 2, "N": 2} Pred: {"P": 3, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#5807 1 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
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