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
#5297 Ir4 Ir(3) — 3 candidates
GT: {"N": 4} Pred: {"S": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#5298 1 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#5299 2 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 8}
0.00
Candidates → Complex detail MOL 3D Viewer
#5300 Ir1 Ir(3) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5301 Ir2 Ir(3) — 2 candidates
GT: {"N": 4} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5302 2 Ir(3) — 3 candidates
GT: {"N": 4} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5303 4 Ir(3) — 3 candidates
GT: {"N": 4} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5304 1 Ir(3) — 3 candidates
GT: {"N": 8} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5305 2 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5306 3 Ir(3) — 3 candidates
GT: {"N": 4, "P": 2} Pred: {"P": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5307 2 Ir(3) — 3 candidates
GT: {"N": 4} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5308 4 Ir(3) — 3 candidates
GT: {"N": 4} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5309 6 Ir(3) — 3 candidates
GT: {"N": 4} Pred: {"N": 7}
0.00
Candidates → Complex detail MOL 3D Viewer
#5310 8 Ir(3) — 3 candidates
GT: {"N": 4} Pred: {"N": 7}
0.00
Candidates → Complex detail MOL 3D Viewer
#5311 10,1 Ir(3) — 3 candidates
GT: {"N": 4} Pred: {"N": 7}
0.00
Candidates → Complex detail MOL 3D Viewer
#5312 C2 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 9}
0.00
Candidates → Complex detail MOL 3D Viewer
#5313 6 Ir(3) — 3 candidates
GT: {"N": 2, "O": 2} Pred: {"O": 3, "N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#5314 7 Ir(3) — 3 candidates
GT: {"N": 2, "O": 2} Pred: {"O": 3, "N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#5315 8 Ir(3) — 3 candidates
GT: {"N": 2, "O": 2} Pred: {"O": 3, "N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#5316 4BrIr Ir(3) — 3 candidates
GT: {"O": 1, "N": 3} Pred: {"N": 5, "O": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#5317 5BrIr Ir(3) — 3 candidates
GT: {"O": 1, "N": 3} Pred: {"O": 3, "N": 5}
0.00
Candidates → Complex detail MOL 3D Viewer
#5318 1 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#5319 2 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#5320 3 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#5321 Ir-1 Ir(3) — 3 candidates
GT: {"O": 1, "N": 3} Pred: {"O": 3, "N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#5322 Ir-2 Ir(3) — 3 candidates
GT: {"O": 1, "N": 5} Pred: {"O": 3, "N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#5323 1 Ir(3) — 3 candidates
GT: {"N": 5} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5324 1 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#5325 2 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#5326 1 Ir(3) — 2 candidates
GT: {"N": 4} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5327 2 Ir(3) — 2 candidates
GT: {"N": 4} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5328 3 Ir(3) — 2 candidates
GT: {"N": 4} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5329 4 Ir(3) — 2 candidates
GT: {"N": 3} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#5330 5 Ir(3) — 2 candidates
GT: {"N": 3} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#5331 6 Ir(3) — 2 candidates
GT: {"N": 3} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#5332 7 Ir(3) — 2 candidates
GT: {"N": 3} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5333 8 Ir(3) — 2 candidates
GT: {"N": 3} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5334 9 Ir(3) — 2 candidates
GT: {"N": 3} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5335 Ir-1 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#5336 Ir-2 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#5337 Ir-3 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 7}
0.00
Candidates → Complex detail MOL 3D Viewer
#5338 1 Ir(3) — 2 candidates
GT: {"O": 1, "P": 1} Pred: {"O": 1, "P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#5339 2 Ir(3) — 2 candidates
GT: {"O": 1, "P": 1} Pred: {"O": 1, "P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#5340 3 Ir(3) — 2 candidates
GT: {"O": 1, "P": 1} Pred: {"O": 1, "P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#5341 4 Ir(3) — 2 candidates
GT: {"O": 1, "P": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5342 5 Ir(3) — 2 candidates
GT: {"P": 1, "O": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5343 6 Ir(3) — 2 candidates
GT: {"P": 1, "O": 1} Pred: {"P": 2, "O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5344 Ir1 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#5345 Ir2 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#5346 Ir3 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
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