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
#2020 6 Ru(2) — 2 candidates
GT: {"N": 5} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#2021 7 Ru(2) — 2 candidates
GT: {"N": 5, "O": 1} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#2022 8 Ru(2) — 2 candidates
GT: {"N": 5} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#2023 9 Ru(2) — 2 candidates
GT: {"N": 5, "O": 1} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#2024 10 Ru(2) — 2 candidates
GT: {"N": 5} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#2025 11 Ru(2) — 2 candidates
GT: {"N": 6} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#2026 12 Ru(2) — 2 candidates
GT: {"N": 6} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#2027 13 Ru(2) — 2 candidates
GT: {"N": 5} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#2028 14 Ru(2) — 2 candidates
GT: {"N": 5} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#2029 Complex 1 Ru(2) — 0 candidates
GT: {"O": 2, "N": 2, "P": 1} Pred: {}
0.00
Candidates → Complex detail MOL 3D Viewer
#2030 Complex 2 Ru(2) — 0 candidates
GT: {"O": 2, "N": 2, "As": 1} Pred: {}
0.00
Candidates → Complex detail MOL 3D Viewer
#2031 Complex 3 Ru(2) — 0 candidates
GT: {"O": 2, "N": 3} Pred: {}
0.00
Candidates → Complex detail MOL 3D Viewer
#2034 1 Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"S": 1, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#2035 2 Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 2, "S": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#2036 3,[1]Cl Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"S": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#2039 [1a]Cl,Ru Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#2040 2a Ru(2) — 2 candidates
GT: {"O": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#2041 2b Ru(2) — 2 candidates
GT: {"O": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#2042 2c Ru(2) — 2 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#2051 3 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#2055 1 Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#2056 2 Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#2057 3 Ru(2) — 2 candidates
GT: {"N": 3} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#2058 4 Ru(2) — 2 candidates
GT: {"N": 3} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#2060 1b Ru(2) — 2 candidates
GT: {"P": 1} Pred: {"P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#2061 2b Ru(2) — 2 candidates
GT: {"P": 1} Pred: {"P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#2062 3b Ru(2) — 2 candidates
GT: {"P": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#2063 4b Ru(2) — 2 candidates
GT: {"P": 1} Pred: {"O": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#2064 5b Ru(2) — 2 candidates
GT: {"P": 1} Pred: {"P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#2065 5 Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#2066 [3][PF6] Ru(2) — 3 candidates
GT: {"N": 2, "P": 2} Pred: {"N": 3, "P": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#2067 [6][PF6] Ru(2) — 3 candidates
GT: {"N": 2, "P": 2} Pred: {"N": 3, "P": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#2068 2 Ru(2) — 2 candidates
GT: {"P": 1} Pred: {"P": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#2069 3 Ru(2) — 2 candidates
GT: {"P": 1} Pred: {"P": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#2070 4 Ru(2) — 2 candidates
GT: {"P": 1} Pred: {"P": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#2071 5 Ru(2) — 2 candidates
GT: {"P": 1} Pred: {"P": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#2072 6 Ru(2) — 2 candidates
GT: {"P": 1} Pred: {"P": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#2073 8 Ru(2) — 2 candidates
GT: {"P": 1, "O": 2} Pred: {"P": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#2075 1 Ru(2) — 0 candidates
GT: {"O": 2, "N": 2, "P": 2} Pred: {}
0.00
Candidates → Complex detail MOL 3D Viewer
#2076 2 Ru(2) — 0 candidates
GT: {"O": 2, "N": 2, "P": 2} Pred: {}
0.00
Candidates → Complex detail MOL 3D Viewer
#2078 1 Ru(2) — 2 candidates
GT: {"O": 1} Pred: {"O": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#2079 2 Ru(2) — 2 candidates
GT: {"O": 1} Pred: {"O": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#2080 2a Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#2081 2b Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#2082 2c Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#2083 2d Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#2084 2e Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#2085 2f Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#2086 2g Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#2087 2h Ru(2) — 2 candidates
GT: {"O": 2, "N": 3} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
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