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
#5096 3 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#5097 Ir-CHO Ir(3) — 3 candidates
GT: {"N": 4} Pred: {"N": 7, "S": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#5098 Ir-S Ir(3) — 3 candidates
GT: {"N": 7} Pred: {"N": 4, "S": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#5099 Ir-Se Ir(3) — 3 candidates
GT: {"N": 7} Pred: {"N": 4, "S": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#5100 1 Ir(3) — 2 candidates
GT: {"N": 6} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5101 2 Ir(3) — 2 candidates
GT: {"N": 6} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5102 3 Ir(3) — 2 candidates
GT: {"N": 6} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#5103 4 Ir(3) — 2 candidates
GT: {"N": 6} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#5104 Ir(III)-1 Ir(3) — 3 candidates
GT: {"N": 8} Pred: {"N": 5}
0.00
Candidates → Complex detail MOL 3D Viewer
#5105 Ir-1 Ir(3) — 3 candidates
GT: {"O": 1, "N": 6} Pred: {"O": 3, "N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#5106 Ir-2 Ir(3) — 3 candidates
GT: {"O": 1, "N": 6} Pred: {"O": 3, "N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#5107 Ir-3 Ir(3) — 3 candidates
GT: {"O": 1, "N": 6} Pred: {"O": 3, "N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#5108 Ir1 Ir(3) — 2 candidates
GT: {"O": 1, "N": 2} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5109 Ir2 Ir(3) — 2 candidates
GT: {"O": 1, "N": 2} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5110 Ir3 Ir(3) — 2 candidates
GT: {"O": 1, "N": 2} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5111 Ir4 Ir(3) — 2 candidates
GT: {"O": 1, "N": 2} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5112 Ir5,2A Ir(3) — 2 candidates
GT: {"N": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5113 Ir6 Ir(3) — 2 candidates
GT: {"N": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5114 1 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#5115 2 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#5116 3 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#5117 Ir1,IrL Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#5118 Ir2 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#5119 1A Ir(3) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#5120 1B Ir(3) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#5121 1C Ir(3) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#5122 2A Ir(3) — 2 candidates
GT: {"N": 3} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5123 2B Ir(3) — 2 candidates
GT: {"N": 3} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5124 2C Ir(3) — 2 candidates
GT: {"N": 3} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5125 [Ir-a]Cl Ir(3) — 3 candidates
GT: {"N": 5} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5126 [Ir-b]Cl Ir(3) — 3 candidates
GT: {"N": 5} Pred: {"N": 1, "S": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#5127 NecroIr1 Ir(3) — 3 candidates
GT: {"N": 5} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#5128 NecroIr2 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#5129 Ir1 Ir(3) — 2 candidates
GT: {"N": 6} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5130 Ir2 Ir(3) — 2 candidates
GT: {"N": 6} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#5132 1 Ir(3) — 3 candidates
GT: {"N": 5} Pred: {"O": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#5133 2 Ir(3) — 3 candidates
GT: {"N": 5} Pred: {"N": 1, "O": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#5134 3 Ir(3) — 3 candidates
GT: {"N": 5} Pred: {"O": 6, "N": 1, "S": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#5135 1 Ir(3) — 2 candidates
GT: {"N": 6} Pred: {"O": 2, "N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5136 2 Ir(3) — 2 candidates
GT: {"N": 6} Pred: {"O": 2, "N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5137 3 Ir(3) — 2 candidates
GT: {"N": 6} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5138 4 Ir(3) — 2 candidates
GT: {"N": 6} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5139 Ir1 Ir(3) — 2 candidates
GT: {"N": 7} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5140 Ir2 Ir(3) — 2 candidates
GT: {"N": 6} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5141 Ir3 Ir(3) — 2 candidates
GT: {"N": 7} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#5142 Ir4 Ir(3) — 2 candidates
GT: {"N": 6} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#5143 1 Ir(3) — 2 candidates
GT: {"N": 1, "O": 1} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5144 2 Ir(3) — 2 candidates
GT: {"O": 1, "N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5145 3 Ir(3) — 2 candidates
GT: {"O": 1, "N": 1} Pred: {"O": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#5146 4 Ir(3) — 2 candidates
GT: {"O": 1, "N": 1} Pred: {"O": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
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