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
#6065 Ir7 Ir(3) — 3 candidates
GT: {"O": 1, "N": 3} Pred: {"O": 3, "N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#6066 2a-Cl Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#6067 2b-PF6 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 6, "O": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#6068 3a-PF6 Ir(3) — 3 candidates
GT: {"N": 4} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#6069 Ir1 Ir(3) — 3 candidates
GT: {"N": 4} Pred: {"N": 7}
0.00
Candidates → Complex detail MOL 3D Viewer
#6070 Ir2 Ir(3) — 3 candidates
GT: {"N": 4} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#6071 DDIRP Ir(3) — 3 candidates
GT: {"N": 6, "P": 1} Pred: {"P": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#6072 Ir-NDI Ir(3) — 2 candidates
GT: {"N": 8} Pred: {"O": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#6073 Ir-1 Ir(3) — 3 candidates
GT: {"N": 7} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#6074 Ir-2 Ir(3) — 3 candidates
GT: {"N": 7} Pred: {"N": 7, "S": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#6075 Ir-3 Ir(3) — 3 candidates
GT: {"N": 7} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#6076 Ir1 Ir(3) — 3 candidates
GT: {"N": 4} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#6077 Ir2 Ir(3) — 3 candidates
GT: {"N": 4} Pred: {"N": 9}
0.00
Candidates → Complex detail MOL 3D Viewer
#6078 Ir3 Ir(3) — 3 candidates
GT: {"N": 4} Pred: {"N": 9}
0.00
Candidates → Complex detail MOL 3D Viewer
#6079 Ir4 Ir(3) — 3 candidates
GT: {"N": 4} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#6080 Ir5 Ir(3) — 3 candidates
GT: {"N": 4} Pred: {"N": 9}
0.00
Candidates → Complex detail MOL 3D Viewer
#6081 Ir6 Ir(3) — 3 candidates
GT: {"N": 4} Pred: {"N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#6082 Ir7 Ir(3) — 3 candidates
GT: {"N": 4} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#6083 Ir8 Ir(3) — 3 candidates
GT: {"N": 4} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#6084 Ir9 Ir(3) — 3 candidates
GT: {"N": 4} Pred: {"N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#6085 Ir10 Ir(3) — 3 candidates
GT: {"N": 4} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#6086 Ir11 Ir(3) — 3 candidates
GT: {"N": 4} Pred: {"N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#6087 Ir12 Ir(3) — 3 candidates
GT: {"N": 4} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#6088 5a Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#6089 5b Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#6090 5c Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 5}
0.00
Candidates → Complex detail MOL 3D Viewer
#6091 [IrL] Ir(3) — 2 candidates
GT: {"N": 4} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#6092 1 Ir(3) — 2 candidates
GT: {"N": 2} Pred: {"N": 1, "S": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#6093 2 Ir(3) — 2 candidates
GT: {"N": 2} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#6094 3 Ir(3) — 2 candidates
GT: {"N": 2} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#6095 4 Ir(3) — 2 candidates
GT: {"N": 2} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#6096 Ir-ppy-Tz Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#6097 Ir-pbt-Tz Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 7}
0.00
Candidates → Complex detail MOL 3D Viewer
#6098 Ir-dfppy-Tz Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#6099 IrL1 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#6100 IrL2 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#6101 IrL3 Ir(3) — 3 candidates
GT: {"N": 8} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#6102 IrL4 Ir(3) — 3 candidates
GT: {"N": 8} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#6103 IrL5 Ir(3) — 3 candidates
GT: {"N": 8} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#6104 Ir1 Ir(3) — 3 candidates
GT: {"N": 7} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#6105 Ir2 Ir(3) — 3 candidates
GT: {"N": 7} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#6106 Ir3 Ir(3) — 3 candidates
GT: {"N": 7} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#6107 Ir2 Ir(3) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#6108 Ir3 Ir(3) — 2 candidates
GT: {"N": 2, "O": 1} Pred: {"O": 2, "N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#6109 Ir4 Ir(3) — 2 candidates
GT: {"O": 1, "N": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#6110 Ir-NPX-1 Ir(3) — 3 candidates
GT: {"N": 4} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#6111 Ir-NPX-2 Ir(3) — 3 candidates
GT: {"N": 4} Pred: {"N": 7, "S": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#6112 Ir-NPX-3 Ir(3) — 3 candidates
GT: {"N": 4} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#6113 1 Ir(3) — 2 candidates
GT: {"P": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#6114 2 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
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