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
#6486 4,1 Os(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#6488 3a Os(2) — 2 candidates
GT: {"N": 1} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#6489 3b Os(2) — 2 candidates
GT: {"N": 1} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#6490 3c Os(2) — 2 candidates
GT: {"N": 1} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#6491 3d Os(2) — 2 candidates
GT: {"N": 1} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#6492 3e Os(2) — 2 candidates
GT: {"N": 1} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#6495 Os3 Os(2) — 3 candidates
GT: {"N": 7} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#6496 Os4 Os(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 12}
0.00
Candidates → Complex detail MOL 3D Viewer
#6497 Os5 Os(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#6498 Os6 Os(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 12}
0.00
Candidates → Complex detail MOL 3D Viewer
#6499 1 Os(2) — 2 candidates
GT: {"O": 1, "N": 1} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#6500 2 Os(2) — 2 candidates
GT: {"O": 1, "N": 1} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#6501 3 Os(2) — 2 candidates
GT: {"O": 2, "N": 1} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#6502 4 Os(2) — 2 candidates
GT: {"O": 2, "N": 1} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#6503 5 Os(2) — 2 candidates
GT: {"O": 1, "N": 1} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#6504 1-I,(5) [Os(η6-p-cym)(5-EtO-AZPY)I]PF6,(6) [Os(η6-p-cym)(5-EtO-AZPY)I]CF3SO3,(7) [Os(η6-p-cym)(5-EtO-AZPY)I]IO3 Os(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#6505 1-Cl,(3) [Os(η6-p-cym)(5-EtO-AZPY)Cl]PF6 Os(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#6506 1-OH Os(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#6507 1 Os(2) — 2 candidates
GT: {"N": 3} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#6508 3,13 Os(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#6509 4,3-PF6 Os(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#6510 5 Os(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#6511 7 Os(2) — 2 candidates
GT: {"N": 3} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#6512 8 Os(2) — 2 candidates
GT: {"N": 3} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#6513 9 Os(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#6514 10 Os(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#6515 11,7PF6 Os(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#6516 12,8PF6 Os(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#6517 4-PF6 Os(2) — 3 candidates
GT: {"N": 3} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#6518 1 Os(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#6519 2 Os(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#6520 3 Os(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#6521 4 Os(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#6522 5 Os(2) — 3 candidates
GT: {"O": 1, "N": 2} Pred: {"O": 3, "N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#6523 6 Os(2) — 3 candidates
GT: {"O": 1, "N": 2} Pred: {"O": 3, "N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#6524 1 Os(2) — 2 candidates
GT: {"N": 1, "O": 1} Pred: {"N": 2, "O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#6525 2 Os(2) — 2 candidates
GT: {"N": 1, "O": 1} Pred: {"N": 1, "O": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#6526 4 Os(2) — 2 candidates
GT: {"N": 1, "O": 1} Pred: {"N": 1, "O": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#6527 1 Os(2) — 2 candidates
GT: {"O": 1, "N": 1} Pred: {"O": 2, "N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#6528 2 Os(2) — 2 candidates
GT: {"O": 1, "N": 1} Pred: {"O": 2, "N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#6529 3 Os(2) — 2 candidates
GT: {"O": 1, "N": 1} Pred: {"O": 2, "N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#6530 4 Os(2) — 2 candidates
GT: {"O": 1, "N": 1} Pred: {"O": 2, "N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#6531 5 Os(2) — 2 candidates
GT: {"N": 1, "O": 1} Pred: {"N": 2, "O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#6532 6 Os(2) — 2 candidates
GT: {"N": 1, "O": 1} Pred: {"N": 2, "O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#6533 7 Os(2) — 2 candidates
GT: {"N": 1, "O": 1} Pred: {"N": 2, "O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#6534 AFAP51,1PF6,1BF4,1 Os(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#6535 2BF4 Os(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#6536 3PF6 Os(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#6537 4PF6 Os(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#6538 9 Os(2) — 2 candidates
GT: {"N": 1} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
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