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
#1417 Ru-1 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 12}
0.50
Candidates → Complex detail MOL 3D Viewer
#1487 1 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 12}
0.50
Candidates → Complex detail MOL 3D Viewer
#1488 2 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 12}
0.50
Candidates → Complex detail MOL 3D Viewer
#1497 1 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 12}
0.50
Candidates → Complex detail MOL 3D Viewer
#1498 2 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 12}
0.50
Candidates → Complex detail MOL 3D Viewer
#1499 3 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 12}
0.50
Candidates → Complex detail MOL 3D Viewer
#1502 1 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 12}
0.50
Candidates → Complex detail MOL 3D Viewer
#1506 5 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 12}
0.50
Candidates → Complex detail MOL 3D Viewer
#1518 Ru1 Ru(2) — 2 candidates
GT: {"O": 1, "P": 2} Pred: {"O": 2, "P": 1}
0.50
Candidates → Complex detail MOL 3D Viewer
#1533 1 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 12}
0.50
Candidates → Complex detail MOL 3D Viewer
#1535 1 Ru(2) — 3 candidates
GT: {"N": 5, "O": 1} Pred: {"N": 9, "O": 3}
0.50
Candidates → Complex detail MOL 3D Viewer
#1552 1,4,2,Complex 2,Compound 2 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 12}
0.50
Candidates → Complex detail MOL 3D Viewer
#1556 3,C1 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 12}
0.50
Candidates → Complex detail MOL 3D Viewer
#1624 [RuII-hpa-P] Ru(2) — 1 candidates
GT: {"O": 3, "N": 1, "P": 2} Pred: {"O": 2, "N": 1}
0.50
Candidates → Complex detail MOL 3D Viewer
#1625 [RuII-hpa-As] Ru(2) — 1 candidates
GT: {"O": 3, "N": 1, "As": 2} Pred: {"O": 2, "N": 1}
0.50
Candidates → Complex detail MOL 3D Viewer
#1631 Сomplex-1 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 12}
0.50
Candidates → Complex detail MOL 3D Viewer
#1632 Ru1a Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 12}
0.50
Candidates → Complex detail MOL 3D Viewer
#1647 Ru-2 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 12}
0.50
Candidates → Complex detail MOL 3D Viewer
#1676 RuY1 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 12}
0.50
Candidates → Complex detail MOL 3D Viewer
#1771 4 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 12}
0.50
Candidates → Complex detail MOL 3D Viewer
#1827 2 Ru(2) — 3 candidates
GT: {"S": 2, "O": 2, "N": 3} Pred: {"O": 5, "S": 2, "N": 1}
0.50
Candidates → Complex detail MOL 3D Viewer
#1854 2 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 12}
0.50
Candidates → Complex detail MOL 3D Viewer
#1901 3 Ru(2) — 1 candidates
GT: {"N": 3, "S": 1, "O": 1, "P": 1} Pred: {"O": 1, "S": 1, "N": 1}
0.50
Candidates → Complex detail MOL 3D Viewer
#1924 Ru1 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 12}
0.50
Candidates → Complex detail MOL 3D Viewer
#1926 Ru3 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 12}
0.50
Candidates → Complex detail MOL 3D Viewer
#1927 [RuCl5(ind)]2-,(Hind)2[RuIIICl5(ind)], 2 Ru(3) — 1 candidates
GT: {"N": 2} Pred: {"N": 1}
0.50
Candidates → Complex detail MOL 3D Viewer
#1958 2 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 12}
0.50
Candidates → Complex detail MOL 3D Viewer
#1959 3 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 12}
0.50
Candidates → Complex detail MOL 3D Viewer
#1962 1 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 12}
0.50
Candidates → Complex detail MOL 3D Viewer
#1964 [RuCl(LL1)(H2O)] Ru(3) — 1 candidates
GT: {"N": 2, "O": 2} Pred: {"O": 2}
0.50
Candidates → Complex detail MOL 3D Viewer
#1965 [RuCl(LL2)(H2O)] Ru(3) — 1 candidates
GT: {"O": 2, "N": 2} Pred: {"O": 2}
0.50
Candidates → Complex detail MOL 3D Viewer
#1971 RDC44,5b Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 12}
0.50
Candidates → Complex detail MOL 3D Viewer
#2013 1 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 12}
0.50
Candidates → Complex detail MOL 3D Viewer
#2032 3 Ru(2) — 2 candidates
GT: {"N": 1, "O": 2, "P": 2} Pred: {"N": 2, "O": 2}
0.50
Candidates → Complex detail MOL 3D Viewer
#2033 4 Ru(2) — 2 candidates
GT: {"N": 1, "O": 2, "As": 2} Pred: {"N": 2, "O": 2}
0.50
Candidates → Complex detail MOL 3D Viewer
#2037 [Ru{(NO2)3tpy}(Me2bpy)Cl]+ Ru(2) — 2 candidates
GT: {"N": 5, "O": 3} Pred: {"N": 7}
0.50
Candidates → Complex detail MOL 3D Viewer
#2038 Cl-RubbN16NO2-mono Ru(2) — 2 candidates
GT: {"N": 4, "O": 1} Pred: {"N": 7}
0.50
Candidates → Complex detail MOL 3D Viewer
#2043 [RuCl(CO)(PPh3)L] Ru(2) — 1 candidates
GT: {"N": 3, "O": 2, "P": 1} Pred: {"O": 2, "N": 1}
0.50
Candidates → Complex detail MOL 3D Viewer
#2044 1 Ru(3) — 3 candidates
GT: {"S": 1, "O": 1, "N": 4} Pred: {"S": 3, "N": 3}
0.50
Candidates → Complex detail MOL 3D Viewer
#2045 4 Ru(3) — 3 candidates
GT: {"S": 1, "O": 1, "N": 4} Pred: {"S": 3, "N": 3}
0.50
Candidates → Complex detail MOL 3D Viewer
#2048 Ru(phen)2(Hecip) Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 12}
0.50
Candidates → Complex detail MOL 3D Viewer
#2050 2 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 12}
0.50
Candidates → Complex detail MOL 3D Viewer
#2053 1 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 12}
0.50
Candidates → Complex detail MOL 3D Viewer
#2054 2 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 12}
0.50
Candidates → Complex detail MOL 3D Viewer
#2093 Ru-3 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 12}
0.50
Candidates → Complex detail MOL 3D Viewer
#2094 Ru-4 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 12}
0.50
Candidates → Complex detail MOL 3D Viewer
#2109 1 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 12}
0.50
Candidates → Complex detail MOL 3D Viewer
#2110 2 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 12}
0.50
Candidates → Complex detail MOL 3D Viewer
#2172 3 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 12}
0.50
Candidates → Complex detail MOL 3D Viewer
#2189 2 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 12}
0.50
Candidates → Complex detail MOL 3D Viewer
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