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
#4294 1b Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#4295 1c Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#4296 C4 Ru(3) — 2 candidates
GT: {"N": 3, "O": 1} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#4297 C8 Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#4306 1 Ru(3) — 2 candidates
GT: {"S": 1, "O": 1, "N": 5} Pred: {"S": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4307 2 Ru(3) — 2 candidates
GT: {"S": 1, "O": 1, "N": 5} Pred: {"S": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4311 10 Ru(3) — 2 candidates
GT: {"S": 1, "O": 1, "N": 5} Pred: {"S": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4312 11 Ru(3) — 2 candidates
GT: {"S": 1, "O": 1, "N": 5} Pred: {"S": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4314 RuPCAP Ru(2) — 2 candidates
GT: {"S": 1, "N": 3} Pred: {"S": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4315 RuPCAM Ru(2) — 2 candidates
GT: {"S": 1, "N": 3} Pred: {"S": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4316 RuPCAC Ru(2) — 2 candidates
GT: {"S": 1, "N": 3} Pred: {"S": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4317 RuBCAP Ru(2) — 2 candidates
GT: {"S": 1, "N": 3} Pred: {"S": 2, "N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4318 RuBCAM Ru(2) — 2 candidates
GT: {"S": 1, "N": 3} Pred: {"S": 2, "N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4319 RuBCAC Ru(2) — 2 candidates
GT: {"S": 1, "N": 3} Pred: {"N": 2, "S": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4320 Ru1 Ru(2) — 2 candidates
GT: {"N": 3} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#4321 Ru2 Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4322 Ru3 Ru(2) — 2 candidates
GT: {"N": 3} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#4323 Ru5 Ru(2) — 2 candidates
GT: {"N": 3} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#4324 Ru6 Ru(2) — 2 candidates
GT: {"N": 3} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#4325 RuP1P Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"S": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4326 RuP2P Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"S": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4327 RuP3P Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"S": 1, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4328 RuB1P Ru(2) — 2 candidates
GT: {"N": 3} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#4329 RuB2P Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"S": 2, "N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4330 RuB3P Ru(2) — 2 candidates
GT: {"N": 3} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#4336 8 Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4337 9 Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4339 Ru1 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4340 Ru2 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4341 2a Ru(2) — 2 candidates
GT: {"O": 1} Pred: {"O": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#4342 2b Ru(2) — 2 candidates
GT: {"O": 1} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4343 2d Ru(2) — 2 candidates
GT: {"O": 1} Pred: {"O": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4344 2f Ru(2) — 2 candidates
GT: {"N": 1, "O": 1} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4345 8 Ru(2) — 5 candidates
GT: {"N": 7, "P": 1} Pred: {"P": 5, "N": 9}
0.00
Candidates → Complex detail MOL 3D Viewer
#4346 9 Ru(2) — 5 candidates
GT: {"N": 3, "P": 2} Pred: {"N": 9, "P": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#4347 10 Ru(2) — 4 candidates
GT: {"N": 3, "P": 2} Pred: {"N": 7, "P": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4348 13 Ru(2) — 4 candidates
GT: {"N": 5} Pred: {"N": 9}
0.00
Candidates → Complex detail MOL 3D Viewer
#4349 14 Ru(2) — 4 candidates
GT: {"N": 5} Pred: {"N": 11}
0.00
Candidates → Complex detail MOL 3D Viewer
#4350 15 Ru(2) — 4 candidates
GT: {"N": 5} Pred: {"N": 9}
0.00
Candidates → Complex detail MOL 3D Viewer
#4351 16 Ru(2) — 4 candidates
GT: {"N": 5} Pred: {"N": 9}
0.00
Candidates → Complex detail MOL 3D Viewer
#4352 17 Ru(2) — 4 candidates
GT: {"N": 5, "O": 1} Pred: {"N": 9, "O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4353 18 Ru(2) — 4 candidates
GT: {"N": 5} Pred: {"N": 9}
0.00
Candidates → Complex detail MOL 3D Viewer
#4354 19 Ru(2) — 4 candidates
GT: {"N": 5} Pred: {"N": 9}
0.00
Candidates → Complex detail MOL 3D Viewer
#4355 21 Ru(2) — 4 candidates
GT: {"N": 6} Pred: {"N": 13}
0.00
Candidates → Complex detail MOL 3D Viewer
#4356 Compound 2,Compound 3 Ru(2) — 3 candidates
GT: {"N": 5} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#4357 Compound 6a Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 5}
0.00
Candidates → Complex detail MOL 3D Viewer
#4358 Compound 6b Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#4359 RuZ Ru(2) — 3 candidates
GT: {"N": 7} Pred: {"N": 13}
0.00
Candidates → Complex detail MOL 3D Viewer
#4363 Ru4 Ru(2) — 3 candidates
GT: {"N": 7} Pred: {"N": 8}
0.00
Candidates → Complex detail MOL 3D Viewer
#4364 1 Ru(2) — 3 candidates
GT: {"N": 5} Pred: {"N": 7}
0.00
Candidates → Complex detail MOL 3D Viewer
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