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
#5654 Ir5 Ir(3) — 3 candidates
GT: {"O": 1, "N": 2} Pred: {"O": 3, "N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5655 Ir6 Ir(3) — 3 candidates
GT: {"O": 1, "N": 2} Pred: {"O": 3, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#5656 Ir7 Ir(3) — 3 candidates
GT: {"O": 1, "N": 2} Pred: {"O": 3, "N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5657 Ir8 Ir(3) — 3 candidates
GT: {"O": 1, "N": 2} Pred: {"O": 3, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#5658 Complex 3 Ir(3) — 2 candidates
GT: {"N": 3} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5659 Complex 6 Ir(3) — 2 candidates
GT: {"N": 3} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#5660 Complex 9 Ir(3) — 2 candidates
GT: {"N": 3} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5661 2cL1 Ir(3) — 4 candidates
GT: {"N": 4, "P": 1, "S": 1} Pred: {"P": 4, "S": 5}
0.00
Candidates → Complex detail MOL 3D Viewer
#5662 Complex-3 Ir(3) — 2 candidates
GT: {"N": 3} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5663 Complex-6 Ir(3) — 2 candidates
GT: {"N": 3} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5664 Complex-9 Ir(3) — 2 candidates
GT: {"N": 4} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#5665 Complex-12 Ir(3) — 2 candidates
GT: {"N": 3} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5666 Ir1 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5667 Ir-7 Ir(3) — 2 candidates
GT: {"N": 4} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5668 2a Ir(3) — 2 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5669 2b Ir(3) — 2 candidates
GT: {"N": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5670 3 Ir(3) — 2 candidates
GT: {"N": 3, "O": 1} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#5671 6 Ir(3) — 2 candidates
GT: {"N": 2} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#5672 9 Ir(3) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#5673 Ir(III) complex 9 Ir(3) — 2 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5674 Ir(III) complex 11 Ir(3) — 2 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5675 Ir(III) complex 13 Ir(3) — 2 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5676 Ir(III) complex 10 Ir(3) — 2 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5677 Ir1 Ir(3) — 2 candidates
GT: {"P": 2} Pred: {"P": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5678 Ir2 Ir(3) — 2 candidates
GT: {"P": 2} Pred: {"P": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#5679 Ir3 Ir(3) — 2 candidates
GT: {"P": 2} Pred: {"P": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5680 Ir4 Ir(3) — 2 candidates
GT: {"P": 2} Pred: {"P": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5681 Ir5 Ir(3) — 2 candidates
GT: {"P": 2} Pred: {"P": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#5682 ole-Ir Ir(3) — 2 candidates
GT: {"N": 3} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5683 6a Ir(3) — 2 candidates
GT: {"N": 3} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5684 6b Ir(3) — 2 candidates
GT: {"N": 3} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#5685 1 Ir(3) — 3 candidates
GT: {"N": 5} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5686 2 Ir(3) — 3 candidates
GT: {"N": 5} Pred: {"N": 7}
0.00
Candidates → Complex detail MOL 3D Viewer
#5687 3 Ir(3) — 3 candidates
GT: {"N": 5} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5688 Ir1 Ir(3) — 2 candidates
GT: {"N": 4} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5689 Ir2 Ir(3) — 2 candidates
GT: {"N": 4} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#5690 MA-bpy-Ir Ir(3) — 2 candidates
GT: {"N": 4} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5691 [IrL] Ir(3) — 2 candidates
GT: {"N": 6} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5692 3 Ir(3) — 2 candidates
GT: {"N": 3} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#5693 6 Ir(3) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#5694 OA-Ir Ir(3) — 2 candidates
GT: {"N": 6} Pred: {"N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#5695 IrPOH Ir(3) — 2 candidates
GT: {"P": 1} Pred: {"P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#5696 IrMPOH Ir(3) — 2 candidates
GT: {"P": 1} Pred: {"P": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5697 IrA2 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 7}
0.00
Candidates → Complex detail MOL 3D Viewer
#5698 PC2 Ir(3) — 3 candidates
GT: {"N": 5} Pred: {"N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#5699 PC3 Ir(3) — 3 candidates
GT: {"N": 5} Pred: {"N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#5700 PC4 Ir(3) — 3 candidates
GT: {"N": 5} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5701 PC5 Ir(3) — 3 candidates
GT: {"N": 5} Pred: {"N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#5702 PC6 Ir(3) — 3 candidates
GT: {"N": 5} Pred: {"N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#5703 PC7 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
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