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
#66 Ru7 Ru(2) — 4 candidates
GT: {"N": 6} Pred: {"N": 11}
0.00
Candidates → Complex detail MOL 3D Viewer
#67 Ru8 Ru(2) — 4 candidates
GT: {"N": 6} Pred: {"N": 11}
0.00
Candidates → Complex detail MOL 3D Viewer
#68 Ru9 Ru(2) — 4 candidates
GT: {"N": 6} Pred: {"N": 11}
0.00
Candidates → Complex detail MOL 3D Viewer
#69 Ru10 Ru(2) — 4 candidates
GT: {"N": 6} Pred: {"N": 11}
0.00
Candidates → Complex detail MOL 3D Viewer
#72 [Ru(DIP)2(mal)](PF6),[Ru(DIP)2(mlt)](PF6) Ru(2) — 3 candidates
GT: {"O": 1, "N": 4} Pred: {"O": 6, "N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#76 Ru3 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 10}
0.00
Candidates → Complex detail MOL 3D Viewer
#78 Ru5 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 10}
0.00
Candidates → Complex detail MOL 3D Viewer
#79 Ru6 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 9}
0.00
Candidates → Complex detail MOL 3D Viewer
#80 Ru7 Ru(2) — 3 candidates
GT: {"N": 8} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#82 [Ru(DIP)2(5-OHF)](PF6) Ru(2) — 3 candidates
GT: {"O": 1, "N": 4} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#83 [Ru(DIP)2(gen)](PF6) Ru(2) — 3 candidates
GT: {"O": 1, "N": 4} Pred: {"O": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#93 8 Ru(2) — 0 candidates
GT: {"N": 7, "P": 1} Pred: {}
0.00
Candidates → Complex detail MOL 3D Viewer
#97 Ru3 Ru(2) — 3 candidates
GT: {"N": 3, "S": 1, "P": 2} Pred: {"N": 3, "S": 3, "P": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#98 1 Ru(2) — 2 candidates
GT: {"O": 1, "N": 2} Pred: {"O": 2, "N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#99 2 Ru(2) — 2 candidates
GT: {"O": 1, "N": 2} Pred: {"O": 2, "N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#100 3 Ru(2) — 2 candidates
GT: {"O": 1, "N": 2} Pred: {"O": 2, "N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#101 4 Ru(2) — 2 candidates
GT: {"O": 1, "N": 2} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#102 5 Ru(2) — 2 candidates
GT: {"O": 1, "N": 2} Pred: {"O": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#103 6 Ru(2) — 2 candidates
GT: {"O": 1, "N": 2} Pred: {"O": 2, "N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#104 1 Ru(2) — 2 candidates
GT: {"O": 1, "N": 3} Pred: {"O": 2, "N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#105 2 Ru(2) — 2 candidates
GT: {"O": 1, "N": 3} Pred: {"N": 2, "O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#106 3 Ru(2) — 2 candidates
GT: {"O": 1, "N": 3} Pred: {"N": 2, "O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#107 4 Ru(2) — 2 candidates
GT: {"O": 1, "N": 3} Pred: {"O": 1, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#108 5 Ru(2) — 2 candidates
GT: {"O": 1, "N": 3} Pred: {"O": 1, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#109 6 Ru(2) — 2 candidates
GT: {"O": 1, "N": 3} Pred: {"N": 2, "O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#110 1 Ru(2) — 2 candidates
GT: {"O": 1, "N": 2} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#111 2 Ru(2) — 2 candidates
GT: {"O": 1, "N": 2} Pred: {"N": 2, "O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#112 3 Ru(2) — 2 candidates
GT: {"O": 1, "N": 2} Pred: {"N": 2, "O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#113 4 Ru(2) — 2 candidates
GT: {"O": 1, "N": 2} Pred: {"N": 2, "O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#114 5 Ru(2) — 2 candidates
GT: {"O": 1, "N": 2} Pred: {"O": 1, "N": 1, "S": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#115 6 Ru(2) — 2 candidates
GT: {"O": 1, "N": 2} Pred: {"O": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#116 7 Ru(2) — 2 candidates
GT: {"O": 1, "N": 2} Pred: {"O": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#117 8 Ru(2) — 2 candidates
GT: {"O": 1, "N": 2} Pred: {"N": 2, "O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#118 3 Ru(2) — 2 candidates
GT: {"O": 1, "P": 2} Pred: {"O": 2, "P": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#119 4 Ru(2) — 2 candidates
GT: {"O": 1, "P": 2} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#120 5 Ru(2) — 2 candidates
GT: {"P": 2} Pred: {"P": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#124 8,3e Ru(2) — 2 candidates
GT: {"O": 1} Pred: {"O": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#125 9,3d Ru(2) — 2 candidates
GT: {"O": 1} Pred: {"O": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#126 10,3g Ru(2) — 2 candidates
GT: {"O": 1} Pred: {"O": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#127 11 Ru(2) — 2 candidates
GT: {"O": 1} Pred: {"O": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#128 12 Ru(2) — 2 candidates
GT: {"O": 1} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#129 13,3c,1aCym Ru(2) — 2 candidates
GT: {"O": 1} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#130 14,3f,3d Ru(2) — 2 candidates
GT: {"O": 1} Pred: {"O": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#131 Ru1,Ru3 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#132 Ru2 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#133 Ru3 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#134 Ru4,Ru2 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#135 Ru6 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#145 Ru(II)-1 Ru(2) — 3 candidates
GT: {"N": 8} Pred: {"N": 9}
0.00
Candidates → Complex detail MOL 3D Viewer
#148 2 Ru(2) — 3 candidates
GT: {"O": 1, "P": 4} Pred: {"O": 6, "P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
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