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
#4741 1a Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#4742 2a Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#4743 3a Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#4744 C1 Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"S": 1, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4745 C2 Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4754 RuCpCTZ Ru(2) — 4 candidates
GT: {"N": 2, "P": 2} Pred: {"N": 4, "P": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#4755 1 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4756 3 Ru(2) — 2 candidates
GT: {"O": 1, "N": 1} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4767 [Ru(L-Val-H)(dppb)(4'-MeObipy)]PF₆ (3) Ru(2) — 3 candidates
GT: {"N": 3, "O": 1, "P": 2} Pred: {"N": 7, "O": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#4769 [Ru(L-Hist-H)(dppb)(4'-MeObipy)]PF₆ (5) Ru(2) — 3 candidates
GT: {"N": 5, "O": 1, "P": 2} Pred: {"N": 8, "O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4772 [Ru(L-Ala-H)(dppp)(4'-Mebipy)]PF₆ (8) Ru(2) — 3 candidates
GT: {"N": 3, "O": 1, "P": 2} Pred: {"N": 7, "O": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#4773 [Ru(L-Val-H)(dppp)(4'-Mebipy)]PF₆ (9) Ru(2) — 3 candidates
GT: {"N": 3, "O": 1, "P": 2} Pred: {"N": 7, "O": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#4775 [Ru(L-Trp-H)(dppp)(4'-Mebipy)]PF₆ (11) Ru(2) — 3 candidates
GT: {"N": 4, "O": 1, "P": 2} Pred: {"N": 8, "O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4788 1b Ru(3) — 2 candidates
GT: {"N": 3, "S": 1} Pred: {"S": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4789 2a Ru(3) — 2 candidates
GT: {"N": 3, "S": 1} Pred: {"S": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4791 3 Ru(2) — 3 candidates
GT: {"N": 8} Pred: {"N": 11}
0.00
Candidates → Complex detail MOL 3D Viewer
#4793 11 Ru(2) — 2 candidates
GT: {"N": 2, "P": 1} Pred: {"O": 1, "P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4794 12 Ru(2) — 2 candidates
GT: {"N": 2, "P": 1} Pred: {"O": 1, "P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4795 13 Ru(2) — 2 candidates
GT: {"N": 2, "P": 1} Pred: {"P": 1, "O": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4799 [Ru(bbp)2](PF6)2 Ru(2) — 2 candidates
GT: {"N": 6} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4801 S1-bqn Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 10}
0.00
Candidates → Complex detail MOL 3D Viewer
#4805 S2-bqn Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 11}
0.00
Candidates → Complex detail MOL 3D Viewer
#4810 S3-bqn Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 11}
0.00
Candidates → Complex detail MOL 3D Viewer
#4812 Ru-Cyn-1 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#4813 Ru-Cyn-2 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#4814 Ru-Cyn-3 Ru(2) — 3 candidates
GT: {"N": 6} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#4816 3 Ru(2) — 3 candidates
GT: {"N": 8} Pred: {"N": 8}
0.00
Candidates → Complex detail MOL 3D Viewer
#4817 5 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 8}
0.00
Candidates → Complex detail MOL 3D Viewer
#4818 6 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 8}
0.00
Candidates → Complex detail MOL 3D Viewer
#4823 Ru1 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4824 1a Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"S": 1, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4825 2a Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"S": 1, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4826 3a Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"S": 1, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4827 4a Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"S": 1, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4828 1aBr Ru(2) — 2 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#4829 1aI Ru(2) — 2 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#4830 1bCl Ru(2) — 2 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#4831 1bBr Ru(2) — 2 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#4832 1bI Ru(2) — 2 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#4833 1cCl Ru(2) — 2 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#4834 1cBr Ru(2) — 2 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#4835 1a Ir(3) — 3 candidates
GT: {"N": 8} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#4836 1b Ir(3) — 3 candidates
GT: {"N": 8} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#4837 1c,3 Ir(3) — 3 candidates
GT: {"N": 8} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#4838 2a Ir(3) — 3 candidates
GT: {"N": 8} Pred: {"N": 7}
0.00
Candidates → Complex detail MOL 3D Viewer
#4839 2b Ir(3) — 3 candidates
GT: {"N": 8} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#4840 2c Ir(3) — 3 candidates
GT: {"N": 8} Pred: {"N": 5}
0.00
Candidates → Complex detail MOL 3D Viewer
#4841 3a Ir(3) — 3 candidates
GT: {"N": 8} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#4843 3c Ir(3) — 3 candidates
GT: {"N": 8} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#4844 1 Ir(3) — 2 candidates
GT: {"N": 1} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
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