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
#5497 5 Ir(3) — 2 candidates
GT: {"N": 3} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5498 6 Ir(3) — 2 candidates
GT: {"N": 3} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5499 1 Ir(3) — 3 candidates
GT: {"N": 8} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5500 2 Ir(3) — 3 candidates
GT: {"N": 8} Pred: {"O": 3, "N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#5501 3 Ir(3) — 3 candidates
GT: {"N": 8} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#5502 4 Ir(3) — 3 candidates
GT: {"N": 8} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#5503 1 Ir(3) — 2 candidates
GT: {"N": 4} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5504 2 Ir(3) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5505 3 Ir(3) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#5506 5 Ir(3) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5507 6 Ir(3) — 2 candidates
GT: {"O": 2, "N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5508 1 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#5509 2 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 7}
0.00
Candidates → Complex detail MOL 3D Viewer
#5510 3 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#5511 1 Ir(3) — 3 candidates
GT: {"N": 5} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5512 2 Ir(3) — 3 candidates
GT: {"N": 5} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5513 1 Ir(3) — 3 candidates
GT: {"N": 7} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5514 2 Ir(3) — 3 candidates
GT: {"N": 7} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#5515 1 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#5516 2 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#5517 3 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 7, "S": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#5518 4 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5519 Ir-1 Ir(3) — 3 candidates
GT: {"O": 1, "N": 3} Pred: {"O": 3, "N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#5520 Ir-2 Ir(3) — 3 candidates
GT: {"N": 3, "O": 1} Pred: {"O": 1, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#5521 Ir-3 Ir(3) — 3 candidates
GT: {"O": 1, "N": 3} Pred: {"O": 3, "N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#5522 Ir-4 Ir(3) — 3 candidates
GT: {"O": 1, "N": 5} Pred: {"O": 3, "N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#5523 1 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5524 2 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5525 1a Ir(3) — 3 candidates
GT: {"N": 7} Pred: {"N": 8}
0.00
Candidates → Complex detail MOL 3D Viewer
#5526 1b Ir(3) — 3 candidates
GT: {"N": 7} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#5527 2a Ir(3) — 3 candidates
GT: {"N": 7} Pred: {"N": 7}
0.00
Candidates → Complex detail MOL 3D Viewer
#5528 2b Ir(3) — 3 candidates
GT: {"N": 7} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5529 3a Ir(3) — 3 candidates
GT: {"N": 7} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#5530 3b Ir(3) — 3 candidates
GT: {"N": 7} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5531 1 Ir(3) — 3 candidates
GT: {"N": 8} Pred: {"N": 5}
0.00
Candidates → Complex detail MOL 3D Viewer
#5532 2 Ir(3) — 3 candidates
GT: {"N": 8} Pred: {"N": 5}
0.00
Candidates → Complex detail MOL 3D Viewer
#5533 Ir-1 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#5534 1 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5535 2 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#5536 3 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5537 4 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#5538 Ir1 Ir(3) — 2 candidates
GT: {"N": 3} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5539 Ir2 Ir(3) — 3 candidates
GT: {"N": 5} Pred: {"S": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#5540 1d′ Ir(3) — 2 candidates
GT: {"N": 5} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#5541 2a Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 12}
0.00
Candidates → Complex detail MOL 3D Viewer
#5542 2c Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 12}
0.00
Candidates → Complex detail MOL 3D Viewer
#5543 2e Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#5544 2f Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#5545 3 Ir(3) — 3 candidates
GT: {"N": 6, "O": 2} Pred: {"N": 12}
0.00
Candidates → Complex detail MOL 3D Viewer
#5546 4 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 13}
0.00
Candidates → Complex detail MOL 3D Viewer
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