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
#3633 Ru–pyn(2) Ru(2) — 2 candidates
GT: {"N": 3} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#3638 1 a Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"S": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#3639 2 a Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"S": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#3640 3 a Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#3641 3a Ru(2) — 3 candidates
GT: {"N": 2, "P": 1} Pred: {"S": 2, "N": 2, "P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#3642 4a Ru(2) — 3 candidates
GT: {"N": 5, "P": 1} Pred: {"P": 3, "S": 1, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#3645 RuCym–HQCl-D-Pro Ru(2) — 2 candidates
GT: {"N": 2, "O": 1} Pred: {"O": 1, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#3646 RuCym–HQCl-D-hPro Ru(2) — 2 candidates
GT: {"N": 2, "O": 1} Pred: {"O": 1, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#3647 [Ru(η6 -tol)(phen)Cl]Cl Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#3648 [Ru(η6 -tol)(neo)Cl]Cl Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#3649 [Ru(η6 -p-cym)(neo)Cl]Cl Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#3650 [Ru(η6 -tol)(bpy)Cl]Cl Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#3651 [Ru(η6 -tol)(dmb)Cl]+ Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#3652 3a Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#3653 3b Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#3654 L1-Ru Ru(2) — 2 candidates
GT: {"O": 1} Pred: {"O": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#3655 L2-Ru Ru(2) — 2 candidates
GT: {"O": 1} Pred: {"O": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#3656 L3-Ru Ru(2) — 2 candidates
GT: {"O": 1} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#3657 L4-Ru Ru(2) — 2 candidates
GT: {"N": 1, "O": 1} Pred: {"O": 1, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#3662 CholPyRu Ru(3) — 2 candidates
GT: {"N": 1, "S": 1, "O": 1} Pred: {"S": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#3665 Ru3 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#3672 2 Ru(2) — 2 candidates
GT: {"N": 1, "O": 1} Pred: {"N": 1, "O": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#3673 3 Ru(2) — 2 candidates
GT: {"O": 1, "N": 1} Pred: {"O": 1, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#3674 4 Ru(2) — 2 candidates
GT: {"N": 1, "O": 1} Pred: {"O": 1, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#3675 5 Ru(2) — 2 candidates
GT: {"O": 1, "N": 1} Pred: {"O": 1, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#3676 Ru2 Ru(2) — 3 candidates
GT: {"N": 6, "P": 1} Pred: {"S": 6, "N": 6, "P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#3677 3a Ru(2) — 2 candidates
GT: {"N": 4, "O": 1} Pred: {"O": 8}
0.00
Candidates → Complex detail MOL 3D Viewer
#3678 3b Ru(2) — 2 candidates
GT: {"N": 4, "O": 1, "P": 1} Pred: {"O": 8}
0.00
Candidates → Complex detail MOL 3D Viewer
#3679 3c Ru(2) — 2 candidates
GT: {"N": 8} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#3681 Complex 1 Ru(2) — 2 candidates
GT: {"N": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#3682 Complex 4 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"S": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#3683 Complex 7 Ru(2) — 2 candidates
GT: {"N": 2, "O": 1} Pred: {"S": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#3685 1 Ru(2) — 2 candidates
GT: {"N": 3} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#3686 2 Ru(2) — 2 candidates
GT: {"N": 3} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#3687 3 Ru(2) — 2 candidates
GT: {"N": 3} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#3688 4 Ru(2) — 2 candidates
GT: {"N": 3} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#3689 5 Ru(2) — 2 candidates
GT: {"N": 3} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#3690 6 Ru(2) — 2 candidates
GT: {"N": 3} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#3691 7 Ru(2) — 2 candidates
GT: {"N": 3} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#3692 8 Ru(2) — 2 candidates
GT: {"N": 3} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#3693 9 Ru(2) — 2 candidates
GT: {"N": 3} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#3697 1 Ru(3) — 1 candidates
GT: {"N": 3} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#3699 2b,4a Ru(2) — 2 candidates
GT: {"N": 7} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#3700 4a Ru(2) — 2 candidates
GT: {"N": 3, "P": 1, "F": 1} Pred: {"P": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#3701 4b Ru(2) — 2 candidates
GT: {"N": 3, "P": 1, "F": 3} Pred: {"P": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#3702 4c Ru(2) — 2 candidates
GT: {"N": 3, "P": 1, "F": 1} Pred: {"P": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#3711 2 Ru(2) — 2 candidates
GT: {"O": 1, "N": 1} Pred: {"O": 1, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#3712 7 Ru(2) — 2 candidates
GT: {"O": 1, "N": 1} Pred: {"O": 1, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#3713 13 Ru(2) — 2 candidates
GT: {"N": 1, "O": 1} Pred: {"O": 1, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#3714 11 Ru(2) — 2 candidates
GT: {"O": 1, "N": 1} Pred: {"O": 1, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
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