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
#580 Ru7 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#581 Ru8 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#583 [RuLCl] Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#584 [RuLPTA] Ru(2) — 3 candidates
GT: {"N": 7, "P": 1} Pred: {"P": 3, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#585 CPI-Ru Ru(2) — 2 candidates
GT: {"N": 6} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#586 Ru1 Ru(2) — 3 candidates
GT: {"O": 1, "N": 5} Pred: {"O": 3, "N": 7}
0.00
Candidates → Complex detail MOL 3D Viewer
#587 Ru2 Ru(2) — 3 candidates
GT: {"O": 1, "N": 5} Pred: {"O": 3, "N": 7}
0.00
Candidates → Complex detail MOL 3D Viewer
#597 2b,3b Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 2, "S": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#598 2a,3a Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 2, "S": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#599 2c,3c Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"S": 1, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#600 2d,3d Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"S": 2, "N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#609 1 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#610 RUSCO-1 Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"O": 1, "N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#611 RUSCO-2 Ru(2) — 2 candidates
GT: {"N": 4} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#612 RUSCO-3 Ru(2) — 2 candidates
GT: {"N": 4} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#613 RUSCO-4 Ru(2) — 2 candidates
GT: {"N": 5} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#614 RUSCO-5 Ru(2) — 2 candidates
GT: {"N": 5} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#615 UNICAM-1 Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#618 RT152 Ru(2) — 3 candidates
GT: {"N": 6, "O": 1, "P": 1} Pred: {"S": 6, "N": 6, "P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#619 PMC79,Ru1 Ru(2) — 3 candidates
GT: {"N": 2, "P": 1} Pred: {"N": 6, "P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#620 LCR134 Ru(2) — 3 candidates
GT: {"N": 6, "P": 1} Pred: {"S": 6, "N": 6, "P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#621 RuCH Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#622 RuBCH Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"O": 4, "N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#623 RuCCH Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"O": 4, "N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#624 RuMCH Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"O": 2, "N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#625 I Ru(2) — 2 candidates
GT: {"N": 3, "O": 1} Pred: {"N": 2, "S": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#626 II Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 2, "S": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#627 III Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"S": 2, "N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#628 Ru1 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#629 Ru2 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#630 Ru3 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#631 Ru4 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#632 Ru-N3 Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#633 Ru-TPE-OH Ru(2) — 2 candidates
GT: {"N": 5} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#634 Ru-TPE-PPh3 Ru(2) — 2 candidates
GT: {"N": 5} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#635 Ru1 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#636 Ru2 Ru(2) — 3 candidates
GT: {"O": 1, "N": 2} Pred: {"O": 3, "N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#637 Ru3 Ru(2) — 3 candidates
GT: {"O": 1, "N": 2} Pred: {"O": 3, "N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#638 Ru4 Ru(2) — 3 candidates
GT: {"O": 1, "N": 2} Pred: {"O": 3, "N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#640 Ru2,2 Ru(2) — 3 candidates
GT: {"N": 7} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#646 (2) Ru(2) — 3 candidates
GT: {"N": 4, "O": 1, "P": 2} Pred: {"N": 8}
0.00
Candidates → Complex detail MOL 3D Viewer
#650 2 Ru(2) — 3 candidates
GT: {"N": 8} Pred: {"N": 7}
0.00
Candidates → Complex detail MOL 3D Viewer
#651 3 Ru(2) — 3 candidates
GT: {"N": 8} Pred: {"N": 8}
0.00
Candidates → Complex detail MOL 3D Viewer
#652 C Ru(2) — 3 candidates
GT: {"N": 8} Pred: {"S": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#654 1 Ru(2) — 2 candidates
GT: {"N": 1, "P": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#655 2 Ru(2) — 2 candidates
GT: {"N": 2, "P": 2} Pred: {"P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#656 4 Ru(2) — 3 candidates
GT: {"N": 8} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#658 1 Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#659 2 Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#660 3 Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
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