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
#6712 3b Os(2) — 2 candidates
GT: {"N": 4} Pred: {"S": 1, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#6713 4b Os(2) — 2 candidates
GT: {"N": 4} Pred: {"S": 1, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#6714 2aCl Os(2) — 2 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#6715 2aBr Os(2) — 2 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#6716 2aI Os(2) — 2 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#6717 2bCl Os(2) — 2 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#6718 2bBr Os(2) — 2 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#6719 2bI Os(2) — 2 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#6720 Rh1 Rh(3) — 2 candidates
GT: {"O": 1, "N": 1, "P": 1} Pred: {"P": 2, "N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#6721 Rh2 Rh(3) — 2 candidates
GT: {"O": 1, "N": 1, "P": 1} Pred: {"P": 2, "N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#6722 Rh3 Rh(3) — 2 candidates
GT: {"O": 1, "N": 1, "P": 1, "F": 4} Pred: {"P": 2, "N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#6723 Complex 2 Rh(3) — 2 candidates
GT: {"N": 3} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#6724 Complex 5 Rh(3) — 2 candidates
GT: {"N": 4} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#6725 Complex 8 Rh(3) — 2 candidates
GT: {"N": 3} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#6726 Complex 7 Rh(3) — 2 candidates
GT: {"N": 4} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#6727 Rh-6 Rh(3) — 2 candidates
GT: {"N": 4} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#6728 1c Rh(3) — 2 candidates
GT: {"O": 1} Pred: {"O": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#6729 Complex 3 Rh(3) — 2 candidates
GT: {"O": 1, "N": 2} Pred: {"O": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#6730 Complex 7 Rh(3) — 2 candidates
GT: {"O": 1, "N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#6731 Complex 11 Rh(3) — 2 candidates
GT: {"O": 1, "N": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#6732 N2 Rh(3) — 3 candidates
GT: {"O": 1, "N": 3} Pred: {"O": 2, "S": 2, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#6733 N5 Rh(3) — 3 candidates
GT: {"O": 1, "N": 3} Pred: {"O": 2, "S": 2, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#6734 P2 Rh(3) — 3 candidates
GT: {"N": 4, "P": 1, "O": 1} Pred: {"P": 3, "O": 1, "S": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#6735 P4 Rh(3) — 3 candidates
GT: {"N": 4, "P": 1, "O": 1} Pred: {"P": 3, "O": 1, "S": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#6736 Rh1 Rh(3) — 2 candidates
GT: {"N": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#6737 Rh2 Rh(3) — 2 candidates
GT: {"N": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#6738 Rh3 Rh(3) — 2 candidates
GT: {"N": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#6739 Rh4 Rh(3) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#6740 Rh5 Rh(3) — 2 candidates
GT: {"N": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#6741 Complex 2 Rh(3) — 2 candidates
GT: {"N": 3} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#6742 Complex 5 Rh(3) — 2 candidates
GT: {"N": 3} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#6743 Complex 8 Rh(3) — 2 candidates
GT: {"N": 3} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#6744 cL1 Rh(3) — 2 candidates
GT: {"N": 2, "S": 1} Pred: {"S": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#6745 2dL1 Rh(3) — 3 candidates
GT: {"N": 5, "P": 1, "S": 1} Pred: {"P": 3, "S": 1, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#6746 2dL2 Rh(3) — 3 candidates
GT: {"N": 5, "P": 1, "S": 1} Pred: {"P": 3, "S": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#6747 Complex-2 Rh(3) — 2 candidates
GT: {"N": 3} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#6748 Complex-5 Rh(3) — 2 candidates
GT: {"N": 3} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#6749 Complex-8 Rh(3) — 2 candidates
GT: {"N": 4} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#6750 Complex-11 Rh(3) — 2 candidates
GT: {"N": 3} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#6751 Rh1 Rh(3) — 2 candidates
GT: {"O": 1, "N": 2} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#6752 Rh2 Rh(3) — 2 candidates
GT: {"O": 1, "N": 2, "F": 1} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#6753 Rh3 Rh(3) — 2 candidates
GT: {"O": 1, "N": 1, "F": 4} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#6754 Rh4 Rh(3) — 2 candidates
GT: {"O": 1, "N": 2} Pred: {"O": 2, "N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#6755 2 Rh(3) — 2 candidates
GT: {"N": 3, "O": 1} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#6756 5 Rh(3) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#6757 8 Rh(3) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#6759 19 Rh(3) — 2 candidates
GT: {"N": 6} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#6760 28 Rh(3) — 2 candidates
GT: {"N": 6} Pred: {"S": 2, "O": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#6761 30 Rh(3) — 2 candidates
GT: {"N": 6} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#6763 6 Rh(3) — 2 candidates
GT: {"N": 3} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
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