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
#661 Complex A Ru(2) — 4 candidates
GT: {"N": 6} Pred: {"N": 11}
0.00
Candidates → Complex detail MOL 3D Viewer
#662 Complex B Ru(2) — 4 candidates
GT: {"N": 6} Pred: {"N": 7}
0.00
Candidates → Complex detail MOL 3D Viewer
#668 α-13 Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#669 12 Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#670 β-14 Ru(2) — 2 candidates
GT: {"N": 6} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#671 α-15,α-15 Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#672 β-15 Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#673 16 Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#675 4a Ru(2) — 2 candidates
GT: {"N": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#676 4b Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"O": 2, "N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#677 4c Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"O": 2, "N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#678 4d Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#679 5a Ru(2) — 3 candidates
GT: {"S": 2, "N": 1} Pred: {"S": 7}
0.00
Candidates → Complex detail MOL 3D Viewer
#680 5b Ru(2) — 3 candidates
GT: {"S": 2, "N": 1} Pred: {"S": 7}
0.00
Candidates → Complex detail MOL 3D Viewer
#681 5c Ru(2) — 3 candidates
GT: {"S": 2, "N": 1} Pred: {"S": 5}
0.00
Candidates → Complex detail MOL 3D Viewer
#682 5d Ru(2) — 3 candidates
GT: {"S": 2, "N": 1} Pred: {"S": 7}
0.00
Candidates → Complex detail MOL 3D Viewer
#683 5e Ru(2) — 3 candidates
GT: {"S": 2, "N": 1} Pred: {"S": 7}
0.00
Candidates → Complex detail MOL 3D Viewer
#685 7 Ru(2) — 3 candidates
GT: {"N": 8} Pred: {"N": 9}
0.00
Candidates → Complex detail MOL 3D Viewer
#686 2aRu Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#687 2bRu Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#688 2cRu Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#689 2dRu Ru(2) — 2 candidates
GT: {"N": 4} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#690 2eRu Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#691 2fRu Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#692 3a Ru(2) — 2 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#693 3b Ru(2) — 2 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#696 QY3 Ru(2) — 3 candidates
GT: {"N": 1, "S": 2, "O": 2} Pred: {"N": 3, "S": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#697 QY4 Ru(2) — 3 candidates
GT: {"S": 2, "O": 2, "N": 1} Pred: {"O": 3, "S": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#706 2 Ru(2) — 3 candidates
GT: {"O": 1, "N": 4} Pred: {"O": 6, "N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#707 3 Ru(2) — 3 candidates
GT: {"O": 1, "N": 4} Pred: {"O": 6, "N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#708 Ru-2 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#712 pCYRuL.,pCYRuL Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#713 RuBDg Ru(3) — 2 candidates
GT: {"O": 1} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#714 RuCDg Ru(3) — 2 candidates
GT: {"O": 1} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#715 Ru1 Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#716 Ru3 Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#717 Ru5 Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#722 3 Ru(2) — 2 candidates
GT: {"N": 8} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#724 4 Ru(2) — 3 candidates
GT: {"O": 1, "N": 2, "P": 1} Pred: {"N": 4, "P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#725 6 Ru(2) — 3 candidates
GT: {"N": 4, "P": 1} Pred: {"N": 6, "P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#726 7 Ru(2) — 3 candidates
GT: {"N": 2, "P": 1} Pred: {"N": 6, "P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#727 Complex 1 Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#728 Complex 4 Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#729 Complex 7 Ru(2) — 2 candidates
GT: {"N": 3} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#730 RuβC-7 Ru(2) — 3 candidates
GT: {"O": 1, "N": 6} Pred: {"O": 3, "N": 5}
0.00
Candidates → Complex detail MOL 3D Viewer
#731 RuβC-8 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#739 GRPA Ru(2) — 3 candidates
GT: {"N": 7} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#740 GRBA Ru(2) — 3 candidates
GT: {"N": 7} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#744 1 Ru(2) — 2 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#745 2 Ru(2) — 2 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
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