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
#2164 2a Ru(2) — 2 candidates
GT: {"N": 2, "O": 1} Pred: {"O": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#2165 2b Ru(2) — 2 candidates
GT: {"N": 2, "O": 1} Pred: {"O": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#2166 2c Ru(2) — 2 candidates
GT: {"N": 2, "O": 1} Pred: {"O": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#2167 2d Ru(2) — 2 candidates
GT: {"N": 2, "O": 1} Pred: {"O": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#2168 2e Ru(2) — 2 candidates
GT: {"N": 2, "O": 1} Pred: {"O": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#2169 2f Ru(2) — 2 candidates
GT: {"N": 2, "O": 1} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#2179 1 Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 2, "S": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#2180 2 Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"S": 1, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#2181 3 Ru(2) — 2 candidates
GT: {"N": 4} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#2182 3a Ru(2) — 2 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#2183 3b Ru(2) — 2 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#2184 3c Ru(2) — 2 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#2185 3d Ru(2) — 2 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#2186 3e Ru(2) — 2 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#2187 3f Ru(2) — 2 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#2190 1 Ru(2) — 3 candidates
GT: {"N": 2, "P": 1} Pred: {"P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#2191 2 Ru(2) — 3 candidates
GT: {"N": 3, "P": 1} Pred: {"N": 6, "P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#2192 3 Ru(2) — 3 candidates
GT: {"N": 3, "P": 1} Pred: {"N": 6, "P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#2193 4 Ru(2) — 3 candidates
GT: {"N": 3, "P": 1} Pred: {"N": 6, "P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#2194 5 Ru(2) — 3 candidates
GT: {"N": 3, "P": 1} Pred: {"P": 2, "N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#2195 6 Ru(2) — 3 candidates
GT: {"N": 3, "P": 1} Pred: {"N": 3, "P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#2203 Ru-1 Ru(2) — 3 candidates
GT: {"O": 2, "N": 4} Pred: {"O": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#2205 1 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#2206 2 Ru(2) — 2 candidates
GT: {"O": 1} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#2207 4 Ru(2) — 3 candidates
GT: {"N": 2, "O": 1} Pred: {"N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#2210 4a Ru(2) — 3 candidates
GT: {"N": 5, "P": 1} Pred: {"P": 3, "N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#2211 4b,4k Ru(2) — 3 candidates
GT: {"N": 5, "P": 1} Pred: {"P": 3, "N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#2212 4c,4m Ru(2) — 3 candidates
GT: {"N": 5, "P": 1} Pred: {"P": 3, "N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#2213 4d Ru(2) — 3 candidates
GT: {"N": 5, "P": 1} Pred: {"P": 3, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#2214 4e Ru(2) — 3 candidates
GT: {"N": 5, "P": 1} Pred: {"P": 3, "N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#2215 4f Ru(2) — 3 candidates
GT: {"N": 5, "P": 1} Pred: {"P": 3, "N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#2216 4g Ru(2) — 3 candidates
GT: {"N": 5, "P": 1} Pred: {"P": 3, "N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#2217 4h Ru(2) — 3 candidates
GT: {"N": 5, "P": 1} Pred: {"P": 3, "N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#2223 3,1 Ru(2) — 3 candidates
GT: {"S": 1, "N": 3, "P": 2} Pred: {"N": 7, "S": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#2226 2 Ru(2) — 3 candidates
GT: {"N": 3, "O": 1, "P": 2} Pred: {"N": 7, "O": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#2235 Complex 4 Ru(2) — 3 candidates
GT: {"N": 4, "O": 1, "P": 2} Pred: {"O": 3, "N": 10}
0.00
Candidates → Complex detail MOL 3D Viewer
#2238 Complex 1,1,Compound 1 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 9}
0.00
Candidates → Complex detail MOL 3D Viewer
#2241 1 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#2242 2 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#2243 3 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 12}
0.00
Candidates → Complex detail MOL 3D Viewer
#2244 4 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#2245 5 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#2246 1 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#2247 2 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#2248 3 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#2251 2a Ru(2) — 2 candidates
GT: {"O": 1} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#2252 2b Ru(2) — 2 candidates
GT: {"O": 1} Pred: {"O": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#2253 2c Ru(2) — 2 candidates
GT: {"O": 1} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#2254 2d Ru(2) — 2 candidates
GT: {"O": 1} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#2255 2e Ru(2) — 2 candidates
GT: {"O": 1} Pred: {"O": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
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