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
#1810 8,2a,2b,2c Ru(2) — 2 candidates
GT: {"O": 1} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#1811 9,4a,4b,4c Ru(2) — 2 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#1812 10 Ru(2) — 2 candidates
GT: None Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#1813 11 Ru(2) — 2 candidates
GT: None Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#1814 12 Ru(2) — 2 candidates
GT: None Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#1815 3 Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#1816 5 Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#1817 7 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"S": 2, "N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#1818 8 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"S": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#1819 11a Ru(2) — 2 candidates
GT: {"N": 5} Pred: {"N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#1820 12a Ru(2) — 2 candidates
GT: {"N": 5} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#1821 13a Ru(2) — 2 candidates
GT: {"N": 5} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#1822 5 Ru(3) — 2 candidates
GT: {"N": 3, "O": 2, "As": 1} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#1823 6 Ru(3) — 2 candidates
GT: {"N": 3, "O": 2, "As": 1} Pred: {"O": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#1824 7 Ru(3) — 2 candidates
GT: {"N": 3, "O": 2, "As": 1} Pred: {"O": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#1825 8 Ru(3) — 2 candidates
GT: {"N": 3, "O": 2, "As": 1} Pred: {"O": 4, "N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#1826 1 Ru(2) — 3 candidates
GT: {"S": 2, "O": 2, "N": 2} Pred: {"O": 3, "S": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#1828 3 Ru(2) — 3 candidates
GT: {"S": 2, "O": 2, "N": 2} Pred: {"O": 3, "S": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#1829 4 Ru(2) — 3 candidates
GT: {"S": 2, "O": 2, "N": 2} Pred: {"O": 3, "S": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#1834 4a Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#1835 4b Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#1836 4c Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#1837 4d Ru(2) — 2 candidates
GT: {"N": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#1838 4e Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#1839 4f Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#1840 2a Ru(2) — 2 candidates
GT: {"O": 1, "N": 1} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#1841 2b Ru(2) — 2 candidates
GT: {"N": 1, "O": 1} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#1842 2c Ru(2) — 2 candidates
GT: {"N": 1, "O": 1} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#1843 2d Ru(2) — 2 candidates
GT: {"O": 1, "N": 1} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#1844 Complex 4 Ru(2) — 0 candidates
GT: {"O": 2, "N": 3, "P": 2} Pred: {}
0.00
Candidates → Complex detail MOL 3D Viewer
#1846 Complex 6 Ru(2) — 0 candidates
GT: {"O": 2, "N": 3, "P": 2} Pred: {}
0.00
Candidates → Complex detail MOL 3D Viewer
#1847 1 Ru(2) — 2 candidates
GT: {"N": 5} Pred: {"N": 5}
0.00
Candidates → Complex detail MOL 3D Viewer
#1851 5 Ru(2) — 2 candidates
GT: {"N": 8} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#1855 1 Ru(2) — 2 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#1856 2 Ru(2) — 2 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#1857 3 Ru(2) — 2 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#1858 4 Ru(2) — 2 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#1859 1Ru Ru(2) — 4 candidates
GT: {"N": 1, "P": 2} Pred: {"N": 4, "P": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#1860 2Ru Ru(2) — 3 candidates
GT: {"N": 1, "P": 2} Pred: {"N": 3, "P": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#1861 4Ru Ru(2) — 4 candidates
GT: {"N": 1, "P": 2} Pred: {"N": 4, "P": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#1862 5Ru Ru(2) — 3 candidates
GT: {"N": 1, "P": 2} Pred: {"N": 3, "P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#1863 7Ru Ru(2) — 4 candidates
GT: {"N": 1, "P": 2} Pred: {"N": 4, "P": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#1864 8Ru Ru(2) — 3 candidates
GT: {"N": 1, "P": 2} Pred: {"N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#1865 10Ru Ru(2) — 4 candidates
GT: {"N": 1, "P": 2} Pred: {"O": 8, "P": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#1866 11Ru Ru(2) — 3 candidates
GT: {"N": 1, "P": 2} Pred: {"O": 6, "P": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#1867 13Ru,[7][PF6] Ru(2) — 4 candidates
GT: {"N": 1, "P": 2} Pred: {"N": 4, "P": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#1868 14Ru,[1][PF6] Ru(2) — 3 candidates
GT: {"N": 1, "P": 2} Pred: {"N": 3, "P": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#1869 15Ru,[8][PF6] Ru(2) — 4 candidates
GT: {"N": 4, "P": 2} Pred: {"N": 4, "P": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#1870 16Ru,[2][PF6] Ru(2) — 3 candidates
GT: {"N": 4, "P": 2} Pred: {"N": 3, "P": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#1871 17Ru,[9][PF6] Ru(2) — 4 candidates
GT: {"N": 1, "P": 2} Pred: {"N": 4, "P": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
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