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
#6115 3 Ir(3) — 3 candidates
GT: {"N": 8} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#6116 4 Ir(3) — 3 candidates
GT: {"N": 7} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#6117 Ir1 Ir(3) — 2 candidates
GT: {"N": 4} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#6118 Ir2 Ir(3) — 3 candidates
GT: {"N": 7, "P": 1} Pred: {"P": 3, "N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#6120 1 Ir(3) — 3 candidates
GT: {"N": 8} Pred: {"N": 8}
0.00
Candidates → Complex detail MOL 3D Viewer
#6121 3 Ir(3) — 3 candidates
GT: {"N": 8} Pred: {"N": 8}
0.00
Candidates → Complex detail MOL 3D Viewer
#6122 4 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 8}
0.00
Candidates → Complex detail MOL 3D Viewer
#6123 2 Ir(3) — 3 candidates
GT: {"N": 4} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#6124 4 Ir(3) — 3 candidates
GT: {"N": 4} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#6125 Ir1 Ir(3) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#6126 10 Ir(3) — 2 candidates
GT: {"N": 2} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#6127 12 Ir(3) — 2 candidates
GT: {"N": 3} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#6128 4c Ir(3) — 2 candidates
GT: {"N": 4} Pred: {"S": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#6129 2 Ir(3) — 2 candidates
GT: {"P": 1} Pred: {"P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#6132 Re2 Re(1) — 1 candidates
GT: {"N": 3, "O": 3} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#6135 Re5 Re(1) — 1 candidates
GT: {"N": 4, "O": 3} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#6138 Re8 Re(1) — 2 candidates
GT: {"N": 5, "O": 3} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#6139 Re9 Re(1) — 2 candidates
GT: {"N": 5, "O": 3} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#6145 6 Re(1) — 0 candidates
GT: {"O": 3, "N": 5} Pred: {}
0.00
Candidates → Complex detail MOL 3D Viewer
#6146 8 Re(1) — 0 candidates
GT: {"O": 3, "N": 5} Pred: {}
0.00
Candidates → Complex detail MOL 3D Viewer
#6148 2 Re(1) — 0 candidates
GT: {"O": 3, "N": 5} Pred: {}
0.00
Candidates → Complex detail MOL 3D Viewer
#6150 4 Re(1) — 0 candidates
GT: {"O": 3, "N": 4} Pred: {}
0.00
Candidates → Complex detail MOL 3D Viewer
#6151 5 Re(1) — 0 candidates
GT: {"O": 3, "N": 4} Pred: {}
0.00
Candidates → Complex detail MOL 3D Viewer
#6152 6 Re(1) — 0 candidates
GT: {"O": 3, "N": 4} Pred: {}
0.00
Candidates → Complex detail MOL 3D Viewer
#6155 8,4a,1,7 Re(1) — 0 candidates
GT: {"O": 3, "N": 2} Pred: {}
0.00
Candidates → Complex detail MOL 3D Viewer
#6159 12,4b,8 Re(1) — 0 candidates
GT: {"O": 3, "N": 2} Pred: {}
0.00
Candidates → Complex detail MOL 3D Viewer
#6161 14 Re(1) — 0 candidates
GT: {"O": 3, "N": 2} Pred: {}
0.00
Candidates → Complex detail MOL 3D Viewer
#6162 Re1 Re(1) — 0 candidates
GT: {"O": 3, "N": 4} Pred: {}
0.00
Candidates → Complex detail MOL 3D Viewer
#6163 Re2 Re(1) — 0 candidates
GT: {"O": 3, "N": 4} Pred: {}
0.00
Candidates → Complex detail MOL 3D Viewer
#6164 TRIP-1a,TRIP Re(1) — 2 candidates
GT: {"N": 3, "O": 3} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#6165 TRIP-2a Re(1) — 1 candidates
GT: {"N": 3, "O": 3} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#6166 TRIP-3a Re(1) — 1 candidates
GT: {"N": 3, "O": 3} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#6167 TRIP-4a Re(1) — 2 candidates
GT: {"N": 3, "O": 3} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#6168 TRIP-5a Re(1) — 2 candidates
GT: {"N": 3, "O": 3} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#6169 TRIP-6a Re(1) — 2 candidates
GT: {"N": 3, "O": 3} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#6170 TRIP-7a,Re-tbutylbpy-ptolICN Re(1) — 2 candidates
GT: {"N": 3, "O": 3} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#6171 TRIP-1b Re(1) — 2 candidates
GT: {"N": 3, "O": 3} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#6172 TRIP-1c Re(1) — 2 candidates
GT: {"N": 3, "O": 3} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#6173 TRIP-1d Re(1) — 2 candidates
GT: {"N": 3, "O": 4} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#6174 TRIP-1e,Re-dmphen-pClICN Re(1) — 2 candidates
GT: {"N": 3, "Cl": 1, "O": 3} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#6177 Re-py,fac-[Re(CO)3(phen)(py)]+,1a,4b Re(1) — 0 candidates
GT: {"O": 3, "N": 3} Pred: {}
0.00
Candidates → Complex detail MOL 3D Viewer
#6180 1 Re(1) — 0 candidates
GT: {"O": 4, "N": 3} Pred: {}
0.00
Candidates → Complex detail MOL 3D Viewer
#6183 4 Re(1) — 0 candidates
GT: {"O": 4, "N": 3} Pred: {}
0.00
Candidates → Complex detail MOL 3D Viewer
#6188 9 Re(1) — 0 candidates
GT: {"O": 4, "N": 3} Pred: {}
0.00
Candidates → Complex detail MOL 3D Viewer
#6191 12 Re(1) — 0 candidates
GT: {"O": 4, "N": 3} Pred: {}
0.00
Candidates → Complex detail MOL 3D Viewer
#6196 3a Re(1) — 0 candidates
GT: {"O": 3, "N": 4} Pred: {}
0.00
Candidates → Complex detail MOL 3D Viewer
#6200 3e Re(1) — 0 candidates
GT: {"O": 3, "N": 4} Pred: {}
0.00
Candidates → Complex detail MOL 3D Viewer
#6201 3f Re(1) — 0 candidates
GT: {"O": 3, "N": 4} Pred: {}
0.00
Candidates → Complex detail MOL 3D Viewer
#6212 Re1 Re(1) — 0 candidates
GT: {"O": 3, "N": 2} Pred: {}
0.00
Candidates → Complex detail MOL 3D Viewer
#6215 Retp1 Re(1) — 0 candidates
GT: {"O": 3, "N": 3} Pred: {}
0.00
Candidates → Complex detail MOL 3D Viewer
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