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
#5397 2 Ir(3) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#5398 3 Ir(3) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#5399 4,11 Ir(3) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#5400 5 Ir(3) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#5401 6 Ir(3) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#5402 1-Ir Ir(3) — 3 candidates
GT: {"O": 1, "N": 7} Pred: {"O": 3, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#5403 1 Ir(3) — 3 candidates
GT: {"N": 5} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#5404 2,Ir1 Ir(3) — 3 candidates
GT: {"N": 5} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5405 Ir(ppy)3 Ir(3) — 3 candidates
GT: {"N": 3} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#5406 (TFPPy)2lrPic Ir(3) — 3 candidates
GT: {"N": 3, "O": 1} Pred: {"O": 1, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#5407 (TFPQ)2lrPic Ir(3) — 3 candidates
GT: {"N": 3, "O": 1} Pred: {"O": 1, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#5408 Ir1 Ir(3) — 4 candidates
GT: {"N": 8} Pred: {"O": 4, "N": 5}
0.00
Candidates → Complex detail MOL 3D Viewer
#5409 Ir2 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#5410 1 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#5411 3 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#5412 Ir-PAG Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#5413 Ir-PH,1a Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5414 Ir-SPH Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5415 1 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5416 2 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 7}
0.00
Candidates → Complex detail MOL 3D Viewer
#5417 Ir1 Ir(3) — 3 candidates
GT: {"O": 1, "N": 4} Pred: {"O": 3, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#5418 Ir2 Ir(3) — 3 candidates
GT: {"O": 1, "N": 4} Pred: {"O": 3, "N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5419 Ir3 Ir(3) — 3 candidates
GT: {"O": 1, "N": 4} Pred: {"O": 3, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#5420 Ir4 Ir(3) — 3 candidates
GT: {"O": 1, "N": 6} Pred: {"O": 3, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#5421 Ir1 Ir(3) — 3 candidates
GT: {"N": 8} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#5422 Ir2 Ir(3) — 3 candidates
GT: {"N": 8} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#5423 Ir3 Ir(3) — 3 candidates
GT: {"N": 8} Pred: {"N": 5, "S": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5424 1 Ir(3) — 3 candidates
GT: {"O": 1, "N": 2} Pred: {"O": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#5425 1 Ir(3) — 3 candidates
GT: {"N": 8} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5426 2 Ir(3) — 3 candidates
GT: {"N": 8} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#5427 3 Ir(3) — 3 candidates
GT: {"N": 8} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#5428 13 Ir(3) — 2 candidates
GT: {"O": 1, "N": 1} Pred: {"O": 1, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#5429 Ir-1 Ir(3) — 3 candidates
GT: {"N": 6} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5430 8 Ir(3) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5431 9 Ir(3) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5432 10 Ir(3) — 2 candidates
GT: {"O": 1, "N": 2} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#5433 4a Ir(3) — 2 candidates
GT: {"N": 1, "O": 1} Pred: {"O": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#5434 Ir4 Ir(3) — 2 candidates
GT: {"N": 3} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5435 Ir5 Ir(3) — 2 candidates
GT: {"N": 3} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5436 Ir6 Ir(3) — 2 candidates
GT: {"N": 3} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5437 Ir7 Ir(3) — 2 candidates
GT: {"N": 3} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5438 Ir9 Ir(3) — 2 candidates
GT: {"N": 3} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#5439 Ir1 Ir(3) — 2 candidates
GT: {"N": 1, "P": 1} Pred: {"P": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5440 Ir2 Ir(3) — 2 candidates
GT: {"N": 1, "P": 1} Pred: {"P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#5441 Ir3 Ir(3) — 2 candidates
GT: {"N": 1, "P": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5442 Ir4 Ir(3) — 2 candidates
GT: {"N": 1, "P": 1} Pred: {"P": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5443 Ir5 Ir(3) — 2 candidates
GT: {"N": 1, "P": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5444 Ir6 Ir(3) — 2 candidates
GT: {"N": 1, "P": 1} Pred: {"P": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5445 Ir7 Ir(3) — 2 candidates
GT: {"N": 1, "P": 1} Pred: {"P": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5446 Ir8 Ir(3) — 2 candidates
GT: {"N": 1, "P": 1} Pred: {"P": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
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