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
#927 2e Ru(2) — 3 candidates
GT: {"O": 1, "N": 3} Pred: {"O": 4, "N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#928 3h Ru(2) — 2 candidates
GT: {"N": 1, "O": 2} Pred: {"N": 1, "O": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#929 4h Ru(2) — 2 candidates
GT: {"O": 2, "N": 1} Pred: {"O": 2, "N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#930 [3i]Cl Ru(2) — 3 candidates
GT: {"N": 4, "P": 1, "O": 1} Pred: {"P": 3, "N": 1, "O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#931 1(TfO) Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 2, "S": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#932 2(TfO) Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 2, "S": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#933 1 Ru(2) — 3 candidates
GT: {"S": 2, "N": 2, "P": 2} Pred: {"N": 3, "S": 5}
0.00
Candidates → Complex detail MOL 3D Viewer
#939 1 Ru(2) — 2 candidates
GT: {"N": 2, "O": 1} Pred: {"O": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#940 2 Ru(2) — 2 candidates
GT: {"O": 1, "N": 2} Pred: {"O": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#943 3 Ru(2) — 3 candidates
GT: {"N": 3, "O": 1, "P": 2} Pred: {"N": 7, "O": 3, "S": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#944 RCTLS Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 4, "S": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#945 RCTLSM Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"S": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#946 RCTLSN Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"S": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#947 1 Ru(2) — 2 candidates
GT: {"N": 2, "O": 1} Pred: {"N": 1, "O": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#948 2 Ru(2) — 2 candidates
GT: {"O": 1, "N": 2} Pred: {"N": 1, "O": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#950 2 Ru(2) — 0 candidates
GT: {"O": 2, "N": 3, "P": 1} Pred: {}
0.00
Candidates → Complex detail MOL 3D Viewer
#964 TolRuCl,TolRuPF,2,3a,3b,3c Ru(2) — 2 candidates
GT: None Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#965 1 Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#966 2 Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#972 Complex (4) Ru(2) — 3 candidates
GT: {"N": 2, "O": 2, "P": 2} Pred: {"N": 3, "O": 5}
0.00
Candidates → Complex detail MOL 3D Viewer
#977 Ru3 Ru(2) — 3 candidates
GT: {"N": 6, "S": 1} Pred: {"S": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#978 1,6,[(η6-p-Cymene) Ru(CurcI)Cl] Ru(2) — 2 candidates
GT: {"O": 1} Pred: {"O": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#979 2,[(η6-Benzene) Ru(CurcI)Cl] Ru(2) — 2 candidates
GT: {"O": 1} Pred: {"O": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#980 3,[(η6-hmb) Ru(CurcI)Cl] Ru(2) — 2 candidates
GT: {"O": 1} Pred: {"O": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#981 4,[(η6-Cymene) Ru(CurcII)Cl] Ru(2) — 2 candidates
GT: {"O": 1} Pred: {"O": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#982 5 Ru(2) — 2 candidates
GT: {"O": 1} Pred: {"O": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#983 6 Ru(2) — 2 candidates
GT: {"O": 1} Pred: {"O": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#984 6 Ru(2) — 2 candidates
GT: None Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#990 Ru-Hisp1 Ru(2) — 2 candidates
GT: {"O": 1} Pred: {"O": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#991 Ru-Hisp4 Ru(2) — 2 candidates
GT: {"O": 1} Pred: {"O": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#992 Ru-Hisp8 Ru(2) — 2 candidates
GT: {"O": 1} Pred: {"O": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#993 Ru1 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#996 Ru4 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#997 [1] Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#998 [3]Cl2 Ru(2) — 3 candidates
GT: {"N": 5, "O": 1} Pred: {"O": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#999 [4]Cl2 Ru(2) — 3 candidates
GT: {"N": 5, "O": 1} Pred: {"O": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#1000 3 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#1001 4 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#1002 5 Ru(2) — 2 candidates
GT: {"N": 2, "O": 1} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#1003 6 Ru(2) — 2 candidates
GT: {"N": 2, "O": 1} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#1004 2 Ru(2) — 2 candidates
GT: {"N": 3, "P": 1} Pred: {"P": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#1005 3 Ru(2) — 3 candidates
GT: {"N": 6, "P": 2} Pred: {"P": 5}
0.00
Candidates → Complex detail MOL 3D Viewer
#1006 4 Ru(2) — 3 candidates
GT: {"N": 4, "P": 1} Pred: {"P": 3, "N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#1009 1 Ru(2) — 2 candidates
GT: {"N": 2, "O": 1} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#1010 2 Ru(2) — 2 candidates
GT: {"N": 2, "O": 1} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#1011 3 Ru(2) — 2 candidates
GT: {"N": 2, "O": 1} Pred: {"O": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#1012 4 Ru(2) — 2 candidates
GT: {"N": 2, "O": 1} Pred: {"O": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#1013 5 Ru(2) — 2 candidates
GT: {"N": 2, "O": 1} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#1014 6 Ru(2) — 3 candidates
GT: {"N": 5, "P": 1, "O": 1} Pred: {"P": 3, "O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#1015 7 Ru(2) — 3 candidates
GT: {"N": 5, "P": 1, "O": 1} Pred: {"P": 3, "O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
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