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
#4522 2 Ru(2) — 2 candidates
GT: {"N": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#4523 3 Ru(2) — 2 candidates
GT: {"O": 1, "N": 1} Pred: {"O": 1, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4524 4 Ru(2) — 2 candidates
GT: {"O": 1, "N": 1} Pred: {"O": 1, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4525 1 Ru(2) — 2 candidates
GT: {"N": 1, "O": 1} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4526 2 Ru(2) — 2 candidates
GT: {"N": 1, "O": 1} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4527 3 Ru(2) — 2 candidates
GT: {"N": 1, "O": 1} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4528 4 Ru(2) — 2 candidates
GT: {"N": 1, "O": 1} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4529 1 Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"O": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4530 2 Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"O": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4531 3 Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"O": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4533 1b Ru(2) — 2 candidates
GT: {"N": 1, "P": 1} Pred: {"P": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4534 2b Ru(2) — 2 candidates
GT: {"N": 1, "P": 1} Pred: {"P": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4538 С7,С1 Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4539 [3c]BF4 Ru(2) — 2 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#4540 [3d]BF4 Ru(2) — 2 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#4541 Complex 1 Ru(2) — 2 candidates
GT: {"N": 1, "O": 1} Pred: {"O": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4542 Complex 2 Ru(2) — 2 candidates
GT: {"O": 1, "N": 1} Pred: {"O": 1, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4543 Complex 3 Ru(2) — 2 candidates
GT: {"O": 1} Pred: {"O": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4546 1 Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4547 2 Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4548 3 Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4549 4 Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#4550 1 Ru(2) — 4 candidates
GT: {"N": 6} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#4551 2 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4552 1 Ru(2) — 3 candidates
GT: {"N": 4} Pred: {"N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#4553 1a Ru(2) — 2 candidates
GT: {"O": 1, "N": 1} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4554 1b Ru(2) — 3 candidates
GT: {"N": 3, "O": 1} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4555 1c Ru(2) — 3 candidates
GT: {"O": 1, "N": 3} Pred: {"O": 4, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4556 1d Ru(2) — 3 candidates
GT: {"O": 1, "N": 3} Pred: {"O": 4, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4557 1e Ru(2) — 3 candidates
GT: {"O": 1, "N": 3} Pred: {"O": 4, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4558 1f Ru(2) — 3 candidates
GT: {"O": 1, "N": 2} Pred: {"O": 4, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4559 1g Ru(2) — 3 candidates
GT: {"N": 2, "O": 1} Pred: {"N": 3, "O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4562 4 Ru(2) — 3 candidates
GT: {"O": 1, "N": 4} Pred: {"O": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#4563 5 Ru(2) — 3 candidates
GT: {"O": 2, "N": 4} Pred: {"O": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#4568 5 Ru(2) — 2 candidates
GT: {"N": 2, "P": 1} Pred: {"O": 1, "P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4569 6 Ru(2) — 2 candidates
GT: {"N": 2, "P": 1} Pred: {"O": 1, "P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4570 7 Ru(2) — 2 candidates
GT: {"N": 2, "P": 1} Pred: {"P": 1, "O": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4571 8 Ru(2) — 2 candidates
GT: {"N": 2, "P": 1} Pred: {"O": 1, "P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4572 9 Ru(2) — 2 candidates
GT: {"N": 2, "P": 1} Pred: {"O": 1, "P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4573 10 Ru(2) — 2 candidates
GT: {"N": 2, "P": 1} Pred: {"P": 1, "O": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4574 2a Ru(2) — 2 candidates
GT: {"P": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#4575 2c Ru(2) — 2 candidates
GT: {"P": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#4576 2d Ru(2) — 2 candidates
GT: {"P": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#4577 4a Ru(2) — 2 candidates
GT: {"P": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#4578 4b Ru(2) — 2 candidates
GT: {"P": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#4579 4c Ru(2) — 2 candidates
GT: {"P": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#4580 4d Ru(2) — 2 candidates
GT: {"P": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#4581 4e Ru(2) — 2 candidates
GT: {"P": 1} Pred: {"P": 1, "S": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4582 1 Ru(2) — 3 candidates
GT: {"P": 1, "S": 1, "N": 3} Pred: {"S": 6, "N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4583 2 Ru(2) — 2 candidates
GT: {"P": 1, "S": 1, "N": 1} Pred: {"S": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
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