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
#1872 18Ru,[4][PF6] Ru(2) — 3 candidates
GT: {"N": 1, "P": 2} Pred: {"N": 3, "P": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#1873 19Ru,[10][PF6] Ru(2) — 4 candidates
GT: {"N": 4, "P": 2} Pred: {"N": 4, "P": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#1874 20Ru,[5][PF6] Ru(2) — 3 candidates
GT: {"N": 4, "P": 2} Pred: {"N": 3, "P": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#1875 21Ru Ru(2) — 4 candidates
GT: {"N": 1, "P": 2} Pred: {"O": 8, "P": 5}
0.00
Candidates → Complex detail MOL 3D Viewer
#1876 22Ru Ru(2) — 4 candidates
GT: {"N": 1, "P": 2} Pred: {"N": 4, "P": 5}
0.00
Candidates → Complex detail MOL 3D Viewer
#1877 23Ru Ru(2) — 4 candidates
GT: {"N": 1, "P": 2} Pred: {"N": 4, "P": 5}
0.00
Candidates → Complex detail MOL 3D Viewer
#1880 3 Ru(2) — 3 candidates
GT: {"N": 8} Pred: {"N": 10}
0.00
Candidates → Complex detail MOL 3D Viewer
#1884 1 Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"S": 2, "N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#1885 2 Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 2, "S": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#1886 3 Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"S": 2, "N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#1887 4 Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"S": 2, "N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#1888 5 Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 2, "S": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#1889 6 Ru(2) — 2 candidates
GT: {"N": 3} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#1890 7 Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"S": 1, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#1891 8 Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 2, "S": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#1892 9 Ru(2) — 2 candidates
GT: {"S": 1, "N": 3} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#1893 1 Ru(2) — 2 candidates
GT: {"N": 3} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#1894 2 Ru(2) — 2 candidates
GT: {"N": 3} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#1895 3 Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#1896 4 Ru(2) — 2 candidates
GT: {"N": 3} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#1897 5 Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#1898 6 Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#1903 7 Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 1, "S": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#1904 8 Ru(2) — 2 candidates
GT: {"N": 5} Pred: {"N": 1, "S": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#1905 9 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#1906 10 Ru(2) — 2 candidates
GT: {"N": 5} Pred: {"N": 1, "S": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#1907 11 Ru(2) — 2 candidates
GT: {"N": 6} Pred: {"N": 1, "S": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#1908 5 Ru(2) — 2 candidates
GT: {"N": 2, "O": 1} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#1909 6 Ru(2) — 2 candidates
GT: {"N": 3, "O": 1} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#1910 8 Ru(2) — 2 candidates
GT: {"N": 5, "O": 1} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#1911 1 Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 2, "O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#1912 2 Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 2, "O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#1913 3 Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 2, "O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#1914 4 Ru(2) — 2 candidates
GT: {"N": 3} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#1915 5 Ru(2) — 2 candidates
GT: {"N": 3} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#1916 6 Ru(2) — 2 candidates
GT: {"N": 3} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#1917 7 Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"O": 2, "N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#1918 8 Ru(2) — 3 candidates
GT: {"N": 3, "O": 1} Pred: {"N": 3, "O": 5}
0.00
Candidates → Complex detail MOL 3D Viewer
#1919 9 Ru(2) — 3 candidates
GT: {"N": 6, "P": 1} Pred: {"P": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#1920 10 Ru(2) — 3 candidates
GT: {"N": 3, "O": 1} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#1921 11 Ru(2) — 3 candidates
GT: {"N": 6, "P": 1} Pred: {"P": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#1922 1,1a Ru(2) — 2 candidates
GT: {"N": 4} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#1923 3,2a Ru(2) — 2 candidates
GT: {"N": 5} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#1928 1a Ru(2) — 2 candidates
GT: {"N": 4} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#1929 2a Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#1930 3a Ru(2) — 2 candidates
GT: {"N": 4} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#1931 13,2,3l Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#1932 1,[LRu] Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#1933 2 Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#1934 3 Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
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