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
#4368 2 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 8}
0.00
Candidates → Complex detail MOL 3D Viewer
#4373 1 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"O": 1, "S": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4374 2 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"S": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4375 3 Ru(2) — 2 candidates
GT: {"N": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#4376 4 Ru(2) — 2 candidates
GT: {"N": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#4377 2a Ru(2) — 3 candidates
GT: {"N": 5} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4387 7 Ru(2) — 2 candidates
GT: {"N": 1, "O": 1} Pred: {"O": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#4388 14 Ru(2) — 3 candidates
GT: {"N": 2, "O": 1} Pred: {"O": 2, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4389 2 Ru(2) — 4 candidates
GT: {"N": 5} Pred: {"N": 9}
0.00
Candidates → Complex detail MOL 3D Viewer
#4390 3b Ru(2) — 4 candidates
GT: {"N": 5} Pred: {"N": 11}
0.00
Candidates → Complex detail MOL 3D Viewer
#4391 3c Ru(2) — 4 candidates
GT: {"N": 5, "O": 1} Pred: {"N": 11}
0.00
Candidates → Complex detail MOL 3D Viewer
#4393 4d Ru(2) — 3 candidates
GT: {"N": 5} Pred: {"N": 9}
0.00
Candidates → Complex detail MOL 3D Viewer
#4396 5a Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#4398 7b Ru(2) — 3 candidates
GT: {"N": 5} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#4402 8d Ru(2) — 2 candidates
GT: {"N": 5} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#4406 10a Ru(2) — 2 candidates
GT: {"N": 5} Pred: {"N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#4408 10c Ru(2) — 2 candidates
GT: {"N": 5} Pred: {"N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#4410 12 Ru(2) — 2 candidates
GT: {"N": 5} Pred: {"N": 7}
0.00
Candidates → Complex detail MOL 3D Viewer
#4411 Ru1 Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4412 Ru2 Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#4413 1 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#4414 2 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#4415 3 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#4416 1' Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4417 1 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"S": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4418 2 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4419 3 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"O": 1, "S": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4420 4 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"S": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4421 5 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"S": 2, "O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4422 6 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4423 7 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"O": 2, "S": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4424 8 Ru(2) — 2 candidates
GT: {"N": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#4425 cis-[RuCl2(NO)(dppp)(py)]PF6 Ru(2) — 0 candidates
GT: {"N": 2, "P": 2} Pred: {}
0.00
Candidates → Complex detail MOL 3D Viewer
#4427 cis-[RuCl2(NO)(dppp)(4-Phpy)]PF6 Ru(2) — 0 candidates
GT: {"N": 2, "P": 2} Pred: {}
0.00
Candidates → Complex detail MOL 3D Viewer
#4429 1 Ru(2) — 2 candidates
GT: {"N": 1} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4430 2 Ru(2) — 2 candidates
GT: {"O": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#4431 3 Ru(2) — 2 candidates
GT: {"O": 1} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4432 4 Ru(2) — 2 candidates
GT: {"O": 1} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4433 5 Ru(2) — 2 candidates
GT: {"O": 1} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4434 6 Ru(2) — 2 candidates
GT: {"O": 1} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4435 1 Ru(2) — 1 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#4436 2 Ru(2) — 1 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#4437 2 Ru(2) — 2 candidates
GT: {"N": 3, "O": 1} Pred: {"O": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#4438 6 Ru(2) — 2 candidates
GT: {"S": 1, "O": 1} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4439 1 Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4440 3 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4441 12 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4442 13 Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4443 8 Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"S": 2, "N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4444 9 Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
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