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
#5706 PC10 Ir(3) — 3 candidates
GT: {"N": 4} Pred: {"N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#5707 1 Ir(3) — 3 candidates
GT: {"N": 4} Pred: {"N": 7}
0.00
Candidates → Complex detail MOL 3D Viewer
#5708 Ir-UA Ir(3) — 3 candidates
GT: {"N": 5} Pred: {"O": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#5709 Ir-MMB Ir(3) — 3 candidates
GT: {"N": 4, "O": 2} Pred: {"N": 8, "O": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#5710 Ir-OH Ir(3) — 3 candidates
GT: {"N": 4} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#5711 Ir1@MEDTC Ir(3) — 3 candidates
GT: {"S": 1, "N": 2} Pred: {"S": 3, "N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#5714 Ir1 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#5715 Ir2 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#5716 1 Ir(3) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5717 2 Ir(3) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#5718 3 Ir(3) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#5719 4 Ir(3) — 2 candidates
GT: {"N": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5720 5 Ir(3) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5721 6 Ir(3) — 2 candidates
GT: {"N": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5722 1[C,NH] Ir(3) — 2 candidates
GT: {"N": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5723 2[C,NMe] Ir(3) — 2 candidates
GT: {"N": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5724 3[N,NH] Ir(3) — 2 candidates
GT: {"N": 3} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5725 4[N,NMe] Ir(3) — 2 candidates
GT: {"N": 3} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#5726 5[CNH ,NH] Ir(3) — 2 candidates
GT: {"N": 3} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5727 6[CNH ,S] Ir(3) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5728 7[CO,NH] Ir(3) — 2 candidates
GT: {"O": 1, "N": 2} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5729 8[CO,S] Ir(3) — 2 candidates
GT: {"O": 1, "N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5730 Ir-DMSO Ir(3) — 3 candidates
GT: {"S": 1, "O": 1, "N": 2} Pred: {"S": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#5731 Ir-ACN Ir(3) — 3 candidates
GT: {"N": 3} Pred: {"N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#5732 Ir2 Ir(3) — 2 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#5733 Ir2N3 Ir(3) — 2 candidates
GT: {"N": 3} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5734 IrN3 Ir(3) — 2 candidates
GT: {"N": 3} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5735 Ir1 Ir(3) — 3 candidates
GT: {"N": 7, "S": 1} Pred: {"S": 3, "N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#5736 Ir2 Ir(3) — 3 candidates
GT: {"N": 5, "S": 1} Pred: {"S": 3, "N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#5737 Ir3 Ir(3) — 3 candidates
GT: {"N": 5, "S": 1} Pred: {"S": 3, "N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#5738 IrCpNM Ir(3) — 3 candidates
GT: {"N": 5} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5739 IrCpNH2 Ir(3) — 3 candidates
GT: {"N": 3} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5740 Ir2 Ir(3) — 2 candidates
GT: {"N": 3} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#5741 Ir1 Ir(3) — 3 candidates
GT: {"N": 4} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#5742 Ir2 Ir(3) — 3 candidates
GT: {"N": 4} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#5743 Ir3 Ir(3) — 3 candidates
GT: {"N": 4} Pred: {"N": 7, "S": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#5744 Ir1 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 7}
0.00
Candidates → Complex detail MOL 3D Viewer
#5745 Ir2 Ir(3) — 3 candidates
GT: {"N": 7} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#5746 Ir3 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 10}
0.00
Candidates → Complex detail MOL 3D Viewer
#5747 Ir4 Ir(3) — 3 candidates
GT: {"N": 7} Pred: {"N": 9}
0.00
Candidates → Complex detail MOL 3D Viewer
#5748 Ir4 Ir(3) — 3 candidates
GT: {"N": 8} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5749 Ir1 Ir(3) — 3 candidates
GT: {"N": 7} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#5750 Ir2 Ir(3) — 3 candidates
GT: {"N": 7} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5751 Ir-BPA Ir(3) — 3 candidates
GT: {"P": 1, "O": 1, "N": 3} Pred: {"N": 6, "O": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#5752 1 Ir(3) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5753 2 Ir(3) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5754 3 Ir(3) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#5755 4 Ir(3) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5756 5 Ir(3) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#5757 6 Ir(3) — 2 candidates
GT: {"N": 4} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
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