homecomplexesD-MPNN

D-MPNN Donor Prediction

Single-ligand (939) — 939 complexes
rdmetallics.net (363)Sequential multi-lig (7058)Single-ligand (939)⇄ Compare
64
Exact (1.0)
451
Partial (>0)
424
No match
0.260
Mean score
Reset
#755 complex 1 Ru(2) — 30 candidates
GT: {"Cl": 1} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#756 complex 2,Ru1 Ru(2) — 30 candidates
GT: {"Cl": 1} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#763 7 Ru(2) — 13 candidates
GT: {"Cl": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#765 RuL1 Ru(2) — 30 candidates
GT: {"N": 1} Pred: {"O": 1, "S": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#767 RuL3 Ru(2) — 30 candidates
GT: {"N": 1} Pred: {"S": 1, "O": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#768 RuL4 Ru(2) — 30 candidates
GT: {"O": 1, "N": 3} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#769 Ru-LipM Ru(2) — 30 candidates
GT: {"O": 1, "N": 4} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#771 (1) Ru(2) — 0 candidates
GT: {"N": 1, "P": 1} Pred:
0.00
Candidates → Complex detail MOL 3D Viewer
#780 Ru6 Ru(2) — 30 candidates
GT: {"N": 2} Pred: {"N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#781 Ru1 Ru(2) — 30 candidates
GT: {"O": 2, "S": 1} Pred: {"N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#782 Ru2 Ru(2) — 30 candidates
GT: {"O": 2, "S": 1} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#783 Ru3 Ru(2) — 30 candidates
GT: {"O": 2, "S": 1} Pred: {"N": 5}
0.00
Candidates → Complex detail MOL 3D Viewer
#788 Ru(tpy)DPPZ Ru(2) — 30 candidates
GT: {"O": 1} Pred: {"N": 5}
0.00
Candidates → Complex detail MOL 3D Viewer
#789 aL1 Ru(2) — 30 candidates
GT: {"S": 2, "O": 2, "N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#790 aL2 Ru(2) — 30 candidates
GT: {"S": 1, "O": 2, "N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#793 MPD1 Ru(2) — 30 candidates
GT: {"O": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#794 MPD2 Ru(2) — 30 candidates
GT: {"O": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#795 9 Ru(2) — 30 candidates
GT: {"O": 4} Pred: {"N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#798 4 Ru(2) — 30 candidates
GT: {"O": 1} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#810 Complex-10 Ru(2) — 30 candidates
GT: {"N": 2, "O": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#815 1 Ru(2) — 14 candidates
GT: {"N": 2} Pred: {"P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#816 2 Ru(2) — 9 candidates
GT: {"N": 2} Pred: {"P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#817 3 Ru(2) — 21 candidates
GT: {"N": 1} Pred: {"P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#818 6 Ru(2) — 10 candidates
GT: {"N": 1} Pred: {"P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#819 7,1 Ru(2) — 18 candidates
GT: {"N": 1, "O": 4} Pred: {"P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#820 8 Ru(2) — 24 candidates
GT: {"N": 1, "O": 6} Pred: {"P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#821 9 Ru(2) — 30 candidates
GT: {"P": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#822 10 Ru(2) — 30 candidates
GT: {"N": 1, "P": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#823 11Cl,11NO3,11BF4,11OTf,11PF6,11SbF6,11BPh4 Ru(2) — 30 candidates
GT: {"P": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#830 Complex 2 Ru(2) — 30 candidates
GT: {"O": 4} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#835 K1,Ru2,2a Ru(2) — 30 candidates
GT: {"Cl": 1} Pred: {"N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#838 Complex 1 Ru(2) — 30 candidates
GT: {"O": 3, "S": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#842 1 Ru(2) — 30 candidates
GT: {"O": 2} Pred: {"N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#843 2 Ru(2) — 30 candidates
GT: {"O": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#844 3 Ru(2) — 30 candidates
GT: {"O": 1} Pred: {"N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#845 4 Ru(2) — 30 candidates
GT: {"O": 1} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#849 4 Ru(2) — 30 candidates
GT: {"P": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#850 Complex 1 Ru(2) — 30 candidates
GT: {"N": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#857 1 Ru(2) — 30 candidates
GT: {"P": 1} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#858 2 Ru(2) — 30 candidates
GT: {"P": 1} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#859 3 Ru(2) — 26 candidates
GT: {"P": 1} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#860 4 Ru(2) — 30 candidates
GT: {"P": 1} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#861 5 Ru(2) — 30 candidates
GT: {"P": 1} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#866 Ru2 Ru(2) — 0 candidates
GT: {"N": 1} Pred:
0.00
Candidates → Complex detail MOL 3D Viewer
#867 Ru3 Ru(2) — 0 candidates
GT: {"N": 1} Pred:
0.00
Candidates → Complex detail MOL 3D Viewer
#868 Ru4 Ru(2) — 0 candidates
GT: {"N": 1} Pred:
0.00
Candidates → Complex detail MOL 3D Viewer
#869 NBD-Ru Ru(2) — 0 candidates
GT: {"N": 1, "O": 3} Pred:
0.00
Candidates → Complex detail MOL 3D Viewer
#870 RuL1 Ru(2) — 0 candidates
GT: {"O": 1} Pred:
0.00
Candidates → Complex detail MOL 3D Viewer
#871 RuL2 Ru(2) — 0 candidates
GT: {"O": 1} Pred:
0.00
Candidates → Complex detail MOL 3D Viewer
#872 RuL3 Ru(2) — 0 candidates
GT: {"O": 1} Pred:
0.00
Candidates → Complex detail MOL 3D Viewer
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