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
#4144 27 Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"O": 2, "N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4149 1 Ru(2) — 3 candidates
GT: {"N": 3, "P": 1, "O": 1} Pred: {"P": 3, "O": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#4150 2 Ru(2) — 3 candidates
GT: {"N": 3, "P": 1, "O": 1} Pred: {"P": 3, "O": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#4151 3 Ru(2) — 3 candidates
GT: {"N": 3, "P": 1, "O": 1} Pred: {"P": 3, "O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4152 4 Ru(2) — 3 candidates
GT: {"N": 3, "P": 1, "O": 1} Pred: {"P": 3, "O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4153 [2]Cl Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"S": 1, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4154 [3]Cl Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"S": 1, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4157 1 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 10}
0.00
Candidates → Complex detail MOL 3D Viewer
#4164 1 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#4165 2 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#4166 3 Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4167 1 Ru(2) — 1 candidates
GT: {"N": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#4168 Ru9 Ru(2) — 2 candidates
GT: {"N": 1, "P": 1} Pred: {"P": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4169 Ru10 Ru(2) — 2 candidates
GT: {"N": 1, "P": 1} Pred: {"P": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4175 4 Ru(3) — 2 candidates
GT: {"N": 3, "S": 1, "As": 1} Pred: {"S": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4177 6 Ru(3) — 2 candidates
GT: {"N": 3, "S": 1, "O": 1, "As": 1} Pred: {"S": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4178 1 Ru(2) — 3 candidates
GT: {"O": 1, "P": 1} Pred: {"O": 2, "P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4179 2 Ru(2) — 3 candidates
GT: {"O": 1, "P": 1} Pred: {"O": 2, "P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4180 3 Ru(2) — 3 candidates
GT: {"O": 2, "P": 1} Pred: {"O": 2, "P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4183 1 Ru(3) — 2 candidates
GT: {"S": 1, "O": 1, "N": 2} Pred: {"S": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4188 MRA Ru(3) — 3 candidates
GT: {"N": 5, "O": 1} Pred: {"N": 3, "S": 3, "O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4189 MRB Ru(3) — 3 candidates
GT: {"N": 6} Pred: {"S": 5, "N": 5}
0.00
Candidates → Complex detail MOL 3D Viewer
#4190 MRC Ru(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 5, "S": 5}
0.00
Candidates → Complex detail MOL 3D Viewer
#4192 MRE Ru(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 5, "S": 5}
0.00
Candidates → Complex detail MOL 3D Viewer
#4193 MRF Ru(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 5, "S": 5}
0.00
Candidates → Complex detail MOL 3D Viewer
#4194 Ru1 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#4195 Ru2 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#4196 Ru3 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#4197 Ru4 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#4198 Ru5 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#4199 Ru6 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4204 1a Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4205 2a Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4206 3a Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4207 4a Ru(2) — 2 candidates
GT: {"N": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#4208 5a Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4209 6a Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4210 7a Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4211 8a Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4212 9a Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4213 10a Ru(2) — 2 candidates
GT: {"N": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#4214 2 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4215 3 Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4216 4 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4217 1 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#4218 2 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#4219 3 Ru(2) — 3 candidates
GT: {"N": 5} Pred: {"O": 3, "N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#4220 4 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"O": 3, "N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#4221 1b Ru(2) — 2 candidates
GT: {"O": 1, "N": 1} Pred: {"O": 1, "S": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4222 2b Ru(2) — 3 candidates
GT: {"N": 4, "P": 1, "O": 1} Pred: {"P": 3, "O": 1, "S": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
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