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
#5347 IrT Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#5348 Ir1 Ir(3) — 3 candidates
GT: {"N": 4} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5349 Ir2 Ir(3) — 3 candidates
GT: {"N": 4} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5350 Ir3 Ir(3) — 3 candidates
GT: {"N": 4} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5351 Ir4 Ir(3) — 3 candidates
GT: {"N": 4} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5352 Ir5 Ir(3) — 3 candidates
GT: {"N": 4} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5353 Ir1 Ir(3) — 3 candidates
GT: {"N": 7} Pred: {"N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#5354 Ir2 Ir(3) — 3 candidates
GT: {"N": 7} Pred: {"N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#5355 Ir3 Ir(3) — 3 candidates
GT: {"N": 7} Pred: {"N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#5356 IrCN Ir(3) — 4 candidates
GT: {"N": 4} Pred: {"N": 7}
0.00
Candidates → Complex detail MOL 3D Viewer
#5357 1a Ir(3) — 3 candidates
GT: {"O": 1, "N": 4} Pred: {"O": 3, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#5358 2a Ir(3) — 3 candidates
GT: {"N": 4} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#5359 3a Ir(3) — 3 candidates
GT: {"N": 4} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#5360 4a Ir(3) — 3 candidates
GT: {"N": 4} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#5361 5a Ir(3) — 3 candidates
GT: {"N": 4} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#5362 1b Ir(3) — 3 candidates
GT: {"N": 4, "O": 1} Pred: {"N": 2, "O": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#5363 2b Ir(3) — 3 candidates
GT: {"N": 4} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#5364 3b Ir(3) — 3 candidates
GT: {"N": 4} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#5365 4b Ir(3) — 3 candidates
GT: {"N": 4} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#5366 5b Ir(3) — 3 candidates
GT: {"N": 4} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#5367 3 Ir(3) — 3 candidates
GT: {"N": 5, "O": 1} Pred: {"N": 6, "O": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#5368 4 Ir(3) — 3 candidates
GT: {"N": 5} Pred: {"N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#5369 Ir2 Ir(3) — 3 candidates
GT: {"N": 5} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5370 1 Ir(3) — 2 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5371 2 Ir(3) — 2 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5372 3 Ir(3) — 2 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5373 4 Ir(3) — 2 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5374 5 Ir(3) — 2 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5375 6 Ir(3) — 2 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5376 7 Ir(3) — 2 candidates
GT: {"O": 1, "N": 1} Pred: {"O": 1, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#5377 8 Ir(3) — 2 candidates
GT: {"O": 1, "N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5378 9 Ir(3) — 2 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5379 10 Ir(3) — 2 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5380 11 Ir(3) — 2 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5381 12 Ir(3) — 2 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5382 13 Ir(3) — 2 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5383 14 Ir(3) — 2 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5384 15 Ir(3) — 2 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5385 17,4 Ir(3) — 2 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5386 1a Ir(3) — 3 candidates
GT: {"N": 4} Pred: {"N": 5}
0.00
Candidates → Complex detail MOL 3D Viewer
#5387 2a Ir(3) — 3 candidates
GT: {"N": 3, "O": 1} Pred: {"N": 4, "O": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#5388 3a Ir(3) — 3 candidates
GT: {"N": 3, "O": 1} Pred: {"N": 4, "O": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#5389 Ir1 Ir(3) — 3 candidates
GT: {"N": 2, "P": 2} Pred: {"P": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5390 Ir3 Ir(3) — 3 candidates
GT: {"P": 2, "N": 2} Pred: {"P": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#5391 Ir4 Ir(3) — 3 candidates
GT: {"N": 2, "P": 2} Pred: {"P": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5392 Ir5 Ir(3) — 3 candidates
GT: {"N": 2, "P": 2} Pred: {"P": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5393 Ir6 Ir(3) — 3 candidates
GT: {"P": 2, "N": 2} Pred: {"P": 6, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#5394 LDIr1 Ir(3) — 3 candidates
GT: {"O": 1, "N": 2} Pred: {"O": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#5395 LDIr2 Ir(3) — 3 candidates
GT: {"O": 1, "N": 2} Pred: {"O": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#5396 1 Ir(3) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
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