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
#5808 YF1 Ir(3) — 3 candidates
GT: {"N": 6} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5809 YF2 Ir(3) — 3 candidates
GT: {"N": 6, "O": 1} Pred: {"N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#5810 YF3 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#5811 YF4 Ir(3) — 3 candidates
GT: {"N": 7} Pred: {"N": 9}
0.00
Candidates → Complex detail MOL 3D Viewer
#5812 YP1 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#5813 YP2 Ir(3) — 3 candidates
GT: {"O": 1, "N": 6} Pred: {"O": 3, "N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#5814 YP3 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#5815 YP4 Ir(3) — 3 candidates
GT: {"N": 7} Pred: {"N": 9}
0.00
Candidates → Complex detail MOL 3D Viewer
#5816 YQ1 Ir(3) — 3 candidates
GT: {"N": 6} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5817 YQ2 Ir(3) — 3 candidates
GT: {"O": 1, "N": 6} Pred: {"O": 3, "N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#5818 YQ3 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#5819 YQ4 Ir(3) — 3 candidates
GT: {"N": 7} Pred: {"N": 10}
0.00
Candidates → Complex detail MOL 3D Viewer
#5820 2a Ir(3) — 3 candidates
GT: {"N": 7} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5821 3a Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#5822 3b Ir(3) — 3 candidates
GT: {"N": 6} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5823 3c Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#5824 3d Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"O": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#5825 3e Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#5826 Ir-SH Ir(3) — 3 candidates
GT: {"N": 4} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#5827 1 Ir(3) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5828 2 Ir(3) — 2 candidates
GT: {"N": 2} Pred: {"O": 1, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#5829 3 Ir(3) — 2 candidates
GT: {"N": 2} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#5830 4 Ir(3) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#5831 5 Ir(3) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#5832 6 Ir(3) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#5833 NA-Ir Ir(3) — 3 candidates
GT: {"N": 7} Pred: {"N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#5834 Ir-TRN Ir(3) — 3 candidates
GT: {"N": 7} Pred: {"N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#5835 Ir-TRH Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5836 Ir-TRF Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#5837 3a Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#5838 3b Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#5839 3c Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 7}
0.00
Candidates → Complex detail MOL 3D Viewer
#5840 JIr Ir(3) — 2 candidates
GT: {"N": 4} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5841 Ir2 Ir(3) — 3 candidates
GT: {"N": 5} Pred: {"N": 7}
0.00
Candidates → Complex detail MOL 3D Viewer
#5842 Ir3 Ir(3) — 3 candidates
GT: {"N": 5} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#5843 Ir1 Ir(3) — 3 candidates
GT: {"N": 8} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5844 Ir2 Ir(3) — 3 candidates
GT: {"N": 8} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#5845 Ir1 Ir(3) — 3 candidates
GT: {"N": 5} Pred: {"N": 3, "S": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#5846 Ir2,Ir3 Ir(3) — 3 candidates
GT: {"N": 5, "S": 1} Pred: {"N": 3, "S": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#5847 Ir4 Ir(3) — 3 candidates
GT: {"N": 7, "S": 1} Pred: {"N": 3, "S": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#5848 Ir5 Ir(3) — 3 candidates
GT: {"N": 5, "S": 1} Pred: {"N": 3, "S": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#5849 Ir1 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#5850 Ir2 Ir(3) — 3 candidates
GT: {"N": 8} Pred: {"N": 6, "S": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5851 Ir3 Ir(3) — 3 candidates
GT: {"N": 8} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#5852 Ir4 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 5, "S": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5853 Ir1 Ir(3) — 3 candidates
GT: {"N": 4} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#5854 Ir2 Ir(3) — 3 candidates
GT: {"N": 4} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#5855 Ir3 Ir(3) — 3 candidates
GT: {"N": 4} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#5856 1 Ir(3) — 2 candidates
GT: {"N": 3} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#5857 2 Ir(3) — 2 candidates
GT: {"N": 3} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
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