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
#5602 2b Ir(3) — 3 candidates
GT: {"N": 4, "O": 2} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#5603 1a Ir(3) — 3 candidates
GT: {"N": 4} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#5604 2a Ir(3) — 3 candidates
GT: {"N": 4} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#5605 3a Ir(3) — 3 candidates
GT: {"N": 4} Pred: {"N": 7, "S": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#5606 1b,Cym-Ir-OH Ir(3) — 3 candidates
GT: {"N": 4} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#5607 2b Ir(3) — 3 candidates
GT: {"N": 4} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#5608 3b Ir(3) — 3 candidates
GT: {"N": 4} Pred: {"N": 7, "S": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#5609 Ir-1 Ir(3) — 3 candidates
GT: {"N": 5} Pred: {"N": 2, "S": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5610 Ir-2 Ir(3) — 3 candidates
GT: {"N": 5} Pred: {"N": 2, "S": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5611 Ir-P(ph)3 Ir(3) — 3 candidates
GT: {"N": 7} Pred: {"N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#5612 Ir-alkyl Ir(3) — 3 candidates
GT: {"N": 7} Pred: {"N": 7}
0.00
Candidates → Complex detail MOL 3D Viewer
#5613 Ir1 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#5614 Ir2 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#5615 Ir3 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 7}
0.00
Candidates → Complex detail MOL 3D Viewer
#5617 Ir(dipy)-2 Ir(3) — 3 candidates
GT: {"N": 4} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5619 1 Ir(3) — 3 candidates
GT: {"N": 5} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5620 2 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#5621 3 Ir(3) — 3 candidates
GT: {"N": 5} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5622 4 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#5623 NHC-Ir(III) Ir(3) — 3 candidates
GT: {"N": 4} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#5624 Ir-1 Ir(3) — 3 candidates
GT: {"N": 5} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#5625 Ir-2 Ir(3) — 3 candidates
GT: {"N": 5} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#5626 [2]NO3 Ir(3) — 2 candidates
GT: {"N": 2} Pred: {"O": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#5627 [4]NO3 Ir(3) — 2 candidates
GT: {"N": 4} Pred: {"O": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#5628 [6]NO3 Ir(3) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#5629 Ir1 Ir(3) — 2 candidates
GT: {"O": 1, "N": 1, "P": 1} Pred: {"O": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#5630 Ir2 Ir(3) — 2 candidates
GT: {"O": 1, "N": 1, "P": 1} Pred: {"O": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#5631 Ir3 Ir(3) — 2 candidates
GT: {"O": 1, "N": 1, "P": 1, "F": 4} Pred: {"O": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#5632 Ir4 Ir(3) — 2 candidates
GT: {"O": 1, "N": 1, "P": 1} Pred: {"O": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#5633 Complex 8 Ir(3) — 2 candidates
GT: {"N": 4} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5634 Complex 4 Ir(3) — 2 candidates
GT: {"O": 1, "N": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5635 Complex 8 Ir(3) — 2 candidates
GT: {"O": 1, "N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#5636 Complex 12 Ir(3) — 2 candidates
GT: {"O": 1, "N": 2} Pred: {"O": 1, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#5637 Ir1,Ir3 Ir(3) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#5638 Ir2,Ir6 Ir(3) — 2 candidates
GT: {"N": 2} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#5639 Ir4 Ir(3) — 2 candidates
GT: {"N": 2} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#5640 Ir5 Ir(3) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5641 Ir7 Ir(3) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5642 Ir8 Ir(3) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#5643 Ir1 Ir(3) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5644 Ir2 Ir(3) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5645 Ir3 Ir(3) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5646 Ir4 Ir(3) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5647 Ir5 Ir(3) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5648 Ir6 Ir(3) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5649 Ir7 Ir(3) — 2 candidates
GT: {"N": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5650 Ir1 Ir(3) — 2 candidates
GT: {"N": 2} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#5651 Ir2 Ir(3) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5652 Ir3 Ir(3) — 3 candidates
GT: {"O": 1, "N": 2} Pred: {"O": 3, "N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5653 Ir4 Ir(3) — 3 candidates
GT: {"O": 1, "N": 2} Pred: {"O": 3, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
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