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
#4223 2Ru Ru(2) — 4 candidates
GT: {"N": 3, "P": 2} Pred: {"N": 4, "P": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#4224 4Ru Ru(2) — 4 candidates
GT: {"N": 5, "P": 2} Pred: {"N": 4, "P": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#4225 6Ru Ru(2) — 4 candidates
GT: {"N": 3, "P": 2} Pred: {"O": 4, "P": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#4226 7Ru Ru(2) — 3 candidates
GT: {"N": 3, "P": 2} Pred: {"O": 9, "P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4227 8Ru Ru(2) — 4 candidates
GT: {"N": 3, "P": 2} Pred: {"O": 12, "P": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#4228 10Ru Ru(2) — 4 candidates
GT: {"N": 3, "P": 2} Pred: {"P": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#4229 11Ru Ru(2) — 3 candidates
GT: {"N": 3, "P": 2} Pred: {"O": 3, "P": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4230 1 Ru(3) — 2 candidates
GT: {"O": 1, "N": 6} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4233 4 Ru(3) — 2 candidates
GT: {"N": 6} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#4234 5 Ru(3) — 2 candidates
GT: {"N": 6} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4242 1 Ru(2) — 2 candidates
GT: {"N": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#4243 2 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#4244 3 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#4245 4 Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4246 5 Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4247 6 Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4248 1 Ru(2) — 2 candidates
GT: {"N": 1} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4249 2 Ru(2) — 2 candidates
GT: {"N": 1} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4250 3 Ru(2) — 2 candidates
GT: {"N": 1} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4251 Ru1a Ru(2) — 2 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#4252 Ru2a Ru(2) — 2 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#4253 Ru1b Ru(2) — 2 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#4254 Ru2b Ru(2) — 2 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#4255 Ru1c Ru(2) — 2 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#4256 Ru2c Ru(2) — 2 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#4264 8 Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#4265 Ru Ru(2) — 3 candidates
GT: {"N": 8} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#4266 4 Ru(2) — 2 candidates
GT: {"O": 1} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4267 5 Ru(2) — 2 candidates
GT: {"O": 1} Pred: {"O": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4268 6 Ru(2) — 2 candidates
GT: {"O": 1} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4269 7 Ru(2) — 2 candidates
GT: {"O": 1} Pred: {"O": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4270 8 Ru(2) — 2 candidates
GT: {"O": 1} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4271 9 Ru(2) — 2 candidates
GT: {"O": 1} Pred: {"O": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4272 10 Ru(2) — 2 candidates
GT: {"O": 1} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4273 11 Ru(2) — 2 candidates
GT: {"O": 1} Pred: {"O": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#4274 12 Ru(2) — 2 candidates
GT: {"O": 1, "N": 1} Pred: {"O": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4275 13 Ru(2) — 2 candidates
GT: {"N": 1, "O": 1} Pred: {"O": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4276 2 Ru(2) — 3 candidates
GT: {"P": 1, "O": 2} Pred: {"P": 3, "O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4277 3 Ru(2) — 3 candidates
GT: {"P": 1, "O": 2} Pred: {"P": 3, "O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4278 5 Ru(2) — 3 candidates
GT: {"P": 1, "O": 2} Pred: {"P": 3, "O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4279 6 Ru(2) — 3 candidates
GT: {"P": 1, "O": 2} Pred: {"P": 3, "O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4285 1 Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4286 2 Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4287 1 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#4288 2 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4289 3 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#4290 4 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4291 5 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4292 6 Ru(2) — 2 candidates
GT: {"N": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#4293 1a Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
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