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
#746 3 Ru(2) — 2 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#747 4 Ru(2) — 2 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#748 5 Ru(2) — 2 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#749 6 Ru(2) — 2 candidates
GT: {"N": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#750 7 Ru(2) — 3 candidates
GT: {"N": 1, "O": 2} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#751 8 Ru(2) — 3 candidates
GT: {"N": 3} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#752 9 Ru(2) — 3 candidates
GT: {"N": 3} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#753 1a,1b Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#754 2a,2b Ru(2) — 2 candidates
GT: {"N": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#755 complex 1 Ru(2) — 2 candidates
GT: {"N": 5} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#760 FOR0E2 Ru(2) — 4 candidates
GT: {"N": 8} Pred: {"N": 10}
0.00
Candidates → Complex detail MOL 3D Viewer
#762 [3]Cl Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#763 7 Ru(2) — 2 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#765 RuL1 Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#766 RuL2 Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#767 RuL3 Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#768 RuL4 Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#784 Ru1 Ru(2) — 3 candidates
GT: {"N": 5} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#787 3,Ru3 Ru(2) — 3 candidates
GT: {"N": 2, "S": 1, "P": 2} Pred: {"N": 3, "S": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#789 aL1 Ru(2) — 2 candidates
GT: {"N": 2, "S": 1} Pred: {"S": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#790 aL2 Ru(2) — 2 candidates
GT: {"N": 2, "S": 1} Pred: {"S": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#791 1aL1 Ru(2) — 3 candidates
GT: {"N": 2, "S": 1, "P": 1} Pred: {"S": 2, "N": 2, "P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#792 2aL1 Ru(2) — 3 candidates
GT: {"N": 5, "P": 1, "S": 1} Pred: {"P": 3, "S": 1, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#793 MPD1 Ru(2) — 2 candidates
GT: {"N": 5} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#794 MPD2 Ru(2) — 2 candidates
GT: {"N": 5} Pred: {"N": 6, "O": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#807 Complex-1 Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#808 Complex-4 Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 4, "O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#809 Complex-7 Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#810 Complex-10 Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#811 Ru1 Ru(2) — 2 candidates
GT: {"O": 1, "N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#812 Ru2 Ru(2) — 2 candidates
GT: {"O": 2, "N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#813 Ru3 Ru(2) — 2 candidates
GT: {"O": 2, "N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#814 Ru4 Ru(2) — 2 candidates
GT: {"O": 2, "N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#815 1 Ru(2) — 3 candidates
GT: {"N": 6, "P": 2} Pred: {"P": 5}
0.00
Candidates → Complex detail MOL 3D Viewer
#816 2 Ru(2) — 3 candidates
GT: {"N": 6, "P": 2} Pred: {"P": 5}
0.00
Candidates → Complex detail MOL 3D Viewer
#817 3 Ru(2) — 2 candidates
GT: {"N": 4, "P": 1} Pred: {"P": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#818 6 Ru(2) — 2 candidates
GT: {"N": 3, "P": 1} Pred: {"P": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#819 7,1 Ru(2) — 3 candidates
GT: {"N": 3, "P": 1, "O": 2} Pred: {"P": 3, "O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#820 8 Ru(2) — 3 candidates
GT: {"N": 3, "P": 1, "O": 4} Pred: {"P": 3, "O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#821 9 Ru(2) — 2 candidates
GT: {"P": 1} Pred: {"P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#822 10 Ru(2) — 3 candidates
GT: {"N": 3, "P": 2} Pred: {"P": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#823 11Cl,11NO3,11BF4,11OTf,11PF6,11SbF6,11BPh4 Ru(2) — 3 candidates
GT: {"P": 2} Pred: {"P": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#826 Ru0,Ru14 Ru(2) — 2 candidates
GT: {"N": 1, "P": 2} Pred: {"P": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#827 Ru2 Ru(2) — 2 candidates
GT: {"N": 1, "P": 2} Pred: {"P": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#828 Ru3 Ru(2) — 2 candidates
GT: {"P": 2, "N": 1} Pred: {"P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#838 Complex 1 Ru(2) — 2 candidates
GT: {"O": 1, "N": 4} Pred: {"O": 1, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#846 1 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#847 2 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#848 3 Ru(2) — 3 candidates
GT: {"N": 2, "P": 1} Pred: {"N": 4, "P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#849 4 Ru(2) — 3 candidates
GT: {"N": 2, "P": 1} Pred: {"N": 6, "P": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
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