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
#854 FOR002 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 10}
0.00
Candidates → Complex detail MOL 3D Viewer
#855 FOR0D2 Ru(2) — 4 candidates
GT: {"N": 8} Pred: {"N": 14}
0.00
Candidates → Complex detail MOL 3D Viewer
#857 1 Ru(2) — 3 candidates
GT: {"P": 1, "N": 1} Pred: {"P": 3, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#858 2 Ru(2) — 3 candidates
GT: {"P": 1, "N": 1} Pred: {"P": 3, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#859 3 Ru(2) — 3 candidates
GT: {"P": 1, "N": 1} Pred: {"P": 3, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#860 4 Ru(2) — 3 candidates
GT: {"P": 1, "N": 1} Pred: {"P": 3, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#861 5 Ru(2) — 3 candidates
GT: {"P": 1, "N": 1} Pred: {"P": 3, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#862 6 Ru(2) — 3 candidates
GT: {"N": 1, "P": 1} Pred: {"N": 3, "P": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#866 Ru2 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 7}
0.00
Candidates → Complex detail MOL 3D Viewer
#870 RuL1 Ru(2) — 3 candidates
GT: {"N": 3} Pred: {"N": 3, "O": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#871 RuL2 Ru(2) — 3 candidates
GT: {"N": 3} Pred: {"N": 3, "O": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#872 RuL3 Ru(2) — 3 candidates
GT: {"N": 3} Pred: {"N": 3, "O": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#873 RuL4 Ru(2) — 3 candidates
GT: {"N": 3} Pred: {"N": 3, "O": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#874 RuL5 Ru(2) — 3 candidates
GT: {"N": 3} Pred: {"N": 4, "O": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#875 1 Ru(2) — 2 candidates
GT: {"N": 3, "O": 1} Pred: {"N": 2, "O": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#876 2,3,C4,3a,[Ru(η6 -p-cym)(bpy)Cl]Cl,5 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#883 Complex 3 Ru(2) — 3 candidates
GT: {"S": 1, "N": 3, "P": 4} Pred: {"S": 3, "P": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#885 Complex 1 Ru(2) — 3 candidates
GT: {"N": 2, "P": 1} Pred: {"N": 6, "P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#886 Complex 3 Ru(2) — 3 candidates
GT: {"N": 3, "P": 1} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#887 Complex 5 Ru(2) — 3 candidates
GT: {"P": 1, "N": 4} Pred: {"P": 2, "N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#888 Complex 7 Ru(2) — 3 candidates
GT: {"P": 1, "N": 4} Pred: {"P": 2, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#890 Ru-NH2 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#891 1 Ru(2) — 2 candidates
GT: {"O": 1} Pred: {"O": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#892 2 Ru(2) — 3 candidates
GT: {"N": 3, "P": 1, "O": 1} Pred: {"P": 3, "O": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#893 3 Ru(2) — 2 candidates
GT: {"N": 1, "O": 1} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#894 5,5a Ru(2) — 2 candidates
GT: {"O": 1} Pred: {"O": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#895 6,5b Ru(2) — 3 candidates
GT: {"N": 3, "P": 1, "O": 1} Pred: {"P": 3, "O": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#896 9 Ru(2) — 2 candidates
GT: {"O": 2, "N": 1} Pred: {"O": 1, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#897 10 Ru(2) — 3 candidates
GT: {"N": 4, "P": 1, "O": 2} Pred: {"P": 3, "O": 1, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#903 2a Ru(2) — 2 candidates
GT: {"P": 2} Pred: {"P": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#904 2b,R2 Ru(2) — 2 candidates
GT: {"P": 2} Pred: {"P": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#905 1 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#906 2 Ru(2) — 2 candidates
GT: {"N": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#907 3a Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#908 3b Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#909 3c Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#910 3d Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#911 4a Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#912 4b Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#913 4c Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#914 4d Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#915 5a Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#916 5b Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#919 Ru-7 Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#920 C1 Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"O": 4, "N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#921 C2 Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"O": 4, "N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#923 Ru-MI Ru(2) — 3 candidates
GT: {"N": 3, "O": 1} Pred: {"O": 2, "N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#924 1d Ru(2) — 3 candidates
GT: {"N": 2, "S": 1, "O": 1} Pred: {"S": 2, "O": 1, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#925 1e Ru(2) — 3 candidates
GT: {"O": 1, "N": 3} Pred: {"O": 2, "N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#926 2d Ru(2) — 3 candidates
GT: {"N": 2, "S": 1, "O": 1} Pred: {"S": 2, "O": 2, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
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