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
#5147 5 Ir(3) — 2 candidates
GT: {"N": 1, "O": 1} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5148 6 Ir(3) — 2 candidates
GT: {"O": 1, "N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5149 7 Ir(3) — 2 candidates
GT: {"O": 1, "N": 1} Pred: {"O": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#5150 8 Ir(3) — 2 candidates
GT: {"O": 1, "N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5151 9 Ir(3) — 2 candidates
GT: {"N": 1, "O": 1} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5152 10 Ir(3) — 2 candidates
GT: {"O": 1, "N": 1} Pred: {"O": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#5153 11 Ir(3) — 2 candidates
GT: {"O": 1, "N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5154 12 Ir(3) — 2 candidates
GT: {"O": 1, "N": 1} Pred: {"O": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#5155 Ir1 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#5156 Ir2 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#5157 Ir3 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#5158 Ir4 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#5159 Ir5 Ir(3) — 3 candidates
GT: {"N": 6} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5160 1+ Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#5161 2+ Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 7}
0.00
Candidates → Complex detail MOL 3D Viewer
#5162 1 Ir(3) — 2 candidates
GT: {"N": 3} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5163 2 Ir(3) — 2 candidates
GT: {"N": 3} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5164 3 Ir(3) — 2 candidates
GT: {"N": 3} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#5165 4 Ir(3) — 2 candidates
GT: {"N": 3} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#5166 5 Ir(3) — 2 candidates
GT: {"N": 3} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5167 6 Ir(3) — 2 candidates
GT: {"N": 3} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5168 Ir1,Ir4 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#5169 Ir2 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#5170 Ir3 Ir(3) — 3 candidates
GT: {"N": 6} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5171 Ir4 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 5}
0.00
Candidates → Complex detail MOL 3D Viewer
#5172 Ir5 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#5173 Ir6 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#5174 IrM1 Ir(3) — 3 candidates
GT: {"N": 5} Pred: {"N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#5175 IrM2 Ir(3) — 3 candidates
GT: {"N": 5} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5176 IrM3 Ir(3) — 3 candidates
GT: {"N": 5} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5177 IrM4 Ir(3) — 3 candidates
GT: {"N": 5} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5178 Ir1 Ir(3) — 3 candidates
GT: {"N": 3, "P": 1} Pred: {"P": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#5179 Ir2 Ir(3) — 3 candidates
GT: {"N": 3, "P": 1} Pred: {"P": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#5180 Ir3 Ir(3) — 3 candidates
GT: {"N": 3, "P": 1} Pred: {"P": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#5181 Ir4 Ir(3) — 3 candidates
GT: {"N": 5, "P": 1} Pred: {"P": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#5182 Ir5 Ir(3) — 3 candidates
GT: {"N": 5, "P": 1} Pred: {"P": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#5183 Ir6 Ir(3) — 3 candidates
GT: {"N": 5, "P": 1} Pred: {"P": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#5184 5a Ir(3) — 2 candidates
GT: {"N": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5185 5b Ir(3) — 2 candidates
GT: {"N": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5186 5c,5b Ir(3) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5187 5d Ir(3) — 2 candidates
GT: {"N": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5188 1a Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#5189 1b Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#5190 2a Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#5191 2b Ir(3) — 3 candidates
GT: {"N": 7} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5192 3a Ir(3) — 3 candidates
GT: {"N": 7} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#5193 3b Ir(3) — 3 candidates
GT: {"N": 7} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5194 Ir1,2 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#5195 Ir2 Ir(3) — 3 candidates
GT: {"O": 1, "N": 6} Pred: {"O": 3, "N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#5196 Ir3 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
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