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
#1759 2c Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"O": 1, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#1760 2d Ru(2) — 3 candidates
GT: {"O": 2, "N": 3} Pred: {"O": 4, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#1761 3a Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"O": 1, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#1762 C1 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#1763 C2 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#1764 1a Ru(2) — 1 candidates
GT: {"N": 3} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#1765 1b Ru(2) — 1 candidates
GT: {"N": 3} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#1766 2a Ru(2) — 1 candidates
GT: {"N": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#1767 2b Ru(2) — 1 candidates
GT: {"N": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#1768 3a Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#1769 3b Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#1770 4b Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#1772 5 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 12}
0.00
Candidates → Complex detail MOL 3D Viewer
#1773 1 Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#1774 2 Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#1775 3 Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#1776 4 Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#1777 5 Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#1778 6 Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#1779 7 Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#1780 8 Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#1781 9 Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#1782 10 Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#1783 11 Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#1784 12 Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#1785 13 Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#1786 14 Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#1787 15 Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#1788 16 Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#1789 4-S,O Ru(2) — 2 candidates
GT: {"N": 2, "O": 1} Pred: {"S": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#1790 1 Ru(2) — 2 candidates
GT: {"N": 4, "P": 1} Pred: {"P": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#1791 2 Ru(2) — 2 candidates
GT: {"O": 6, "P": 1, "N": 1} Pred: {"P": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#1792 3 Ru(2) — 2 candidates
GT: {"O": 6, "P": 1, "N": 1} Pred: {"P": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#1793 4 Ru(2) — 2 candidates
GT: {"N": 1, "P": 1} Pred: {"P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#1794 1 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#1795 2 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#1796 5 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#1797 6 Ru(2) — 3 candidates
GT: {"N": 4} Pred: {"S": 2, "N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#1798 7 Ru(2) — 3 candidates
GT: {"N": 4} Pred: {"S": 2, "N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#1799 8 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"S": 2, "N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#1800 1c Ru(2) — 2 candidates
GT: {"N": 6} Pred: {"O": 4, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#1801 2c Ru(2) — 2 candidates
GT: {"N": 6} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#1802 3c Ru(2) — 2 candidates
GT: {"N": 6} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#1803 4c Ru(2) — 2 candidates
GT: {"N": 5} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#1804 5c Ru(2) — 2 candidates
GT: {"N": 5} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#1805 1 Ru(2) — 2 candidates
GT: None Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#1806 3 Ru(2) — 2 candidates
GT: None Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#1807 4 Ru(2) — 2 candidates
GT: None Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#1808 6,1a,1b,1c Ru(2) — 2 candidates
GT: {"O": 2} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#1809 7 Ru(2) — 2 candidates
GT: {"O": 1} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
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