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
#5197 Ir4 Ir(3) — 3 candidates
GT: {"N": 7} Pred: {"N": 9}
0.00
Candidates → Complex detail MOL 3D Viewer
#5198 1a Ir(3) — 3 candidates
GT: {"N": 7} Pred: {"N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#5199 1b Ir(3) — 3 candidates
GT: {"N": 7} Pred: {"N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#5200 2a Ir(3) — 3 candidates
GT: {"N": 7} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5201 2b Ir(3) — 3 candidates
GT: {"N": 7} Pred: {"N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#5202 3a Ir(3) — 3 candidates
GT: {"N": 5} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#5203 3b Ir(3) — 3 candidates
GT: {"N": 5} Pred: {"N": 7}
0.00
Candidates → Complex detail MOL 3D Viewer
#5204 4a Ir(3) — 3 candidates
GT: {"N": 5} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#5205 4b Ir(3) — 3 candidates
GT: {"N": 5} Pred: {"N": 7}
0.00
Candidates → Complex detail MOL 3D Viewer
#5206 Ir1 Ir(3) — 2 candidates
GT: {"O": 1, "N": 2} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5207 Ir2 Ir(3) — 2 candidates
GT: {"O": 1, "N": 2} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5208 Ir3 Ir(3) — 2 candidates
GT: {"O": 2, "N": 2} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5209 Ir4 Ir(3) — 2 candidates
GT: {"O": 1, "N": 2, "F": 1} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5210 Ir5 Ir(3) — 2 candidates
GT: {"O": 1, "N": 2, "F": 1} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5211 Ir6 Ir(3) — 2 candidates
GT: {"O": 1, "N": 2, "F": 2} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5212 Ir7 Ir(3) — 2 candidates
GT: {"O": 1, "N": 1, "F": 4} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5213 1 Ir(3) — 3 candidates
GT: {"N": 5} Pred: {"N": 3, "S": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#5214 2 Ir(3) — 3 candidates
GT: {"N": 5} Pred: {"N": 3, "S": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#5215 3 Ir(3) — 3 candidates
GT: {"N": 5} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#5216 2 Ir(3) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5217 3 Ir(3) — 2 candidates
GT: {"N": 2} Pred: {"O": 1, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#5218 4 Ir(3) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5219 5 Ir(3) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5220 6 Ir(3) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5221 7 Ir(3) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5222 Ir1 Ir(3) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5223 Ir2 Ir(3) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5224 Ir3 Ir(3) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5225 Ir4 Ir(3) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5226 Ir5 Ir(3) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5227 Ir6 Ir(3) — 2 candidates
GT: {"N": 2, "F": 1} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5228 1 Ir(3) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#5229 2 Ir(3) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#5230 1 Ir(3) — 2 candidates
GT: {"N": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5231 2 Ir(3) — 2 candidates
GT: {"N": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5232 3 Ir(3) — 2 candidates
GT: {"N": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5233 4 Ir(3) — 2 candidates
GT: {"N": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5234 5 Ir(3) — 2 candidates
GT: {"N": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5235 6 Ir(3) — 2 candidates
GT: {"N": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5236 7 Ir(3) — 2 candidates
GT: {"N": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5237 8 Ir(3) — 2 candidates
GT: {"N": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5238 9 Ir(3) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5239 10 Ir(3) — 2 candidates
GT: {"N": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5240 11 Ir(3) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5241 1 Ir(3) — 2 candidates
GT: {"P": 2} Pred: {"P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#5242 2 Ir(3) — 2 candidates
GT: {"P": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5243 1 Ir(3) — 3 candidates
GT: {"O": 1, "N": 4} Pred: {"O": 3, "N": 8}
0.00
Candidates → Complex detail MOL 3D Viewer
#5244 2 Ir(3) — 3 candidates
GT: {"N": 5, "O": 1} Pred: {"O": 3, "N": 8}
0.00
Candidates → Complex detail MOL 3D Viewer
#5245 3,1 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#5246 2-IrAn Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
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