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
#56 2c Ru(2) — 17 candidates
GT: {"O": 6} Pred: {"S": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#57 3 Ru(2) — 17 candidates
GT: {"O": 6, "N": 2} Pred: {"S": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#58 1 Ru(2) — 30 candidates
GT: {"O": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#59 2 Ru(3) — 30 candidates
GT: {"O": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#60 Ru1 Ru(2) — 30 candidates
GT: {"N": 4} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#61 Ru2 Ru(2) — 30 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#62 Ru3 Ru(2) — 30 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#64 Ru5 Ru(2) — 17 candidates
GT: {"N": 4} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#65 Ru6 Ru(2) — 30 candidates
GT: {"N": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#72 [Ru(DIP)2(mal)](PF6),[Ru(DIP)2(mlt)](PF6) Ru(2) — 30 candidates
GT: {"O": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#73 RuCl2(DIP)2,Ru(DIP)2Cl2,Ru(dip)2Cl2,cis-[Ru(DIP)2Cl2] Ru(2) — 43 candidates
GT: Cl:2 Pred: N:2
0.00
Candidates → Complex detail MOL 3D Viewer
#82 [Ru(DIP)2(5-OHF)](PF6) Ru(2) — 30 candidates
GT: {"O": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#85 [Ru(DIP)2(mor)](OTf) Ru(2) — 30 candidates
GT: {"O": 6} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#88 3 Ru(2) — 30 candidates
GT: {"P": 1} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#89 4 Ru(0) — 30 candidates
GT: {"P": 1} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#90 5 Ru(2) — 30 candidates
GT: {"P": 1} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#91 6 Ru(2) — 30 candidates
GT: {"P": 1} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#96 Ru2 Ru(2) — 30 candidates
GT: {"S": 1, "P": 2} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#100 3 Ru(2) — 30 candidates
GT: {"O": 1, "N": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#118 3 Ru(2) — 30 candidates
GT: {"P": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#119 4 Ru(2) — 30 candidates
GT: {"P": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#120 5 Ru(2) — 30 candidates
GT: {"P": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#124 8,3e Ru(2) — 30 candidates
GT: {"O": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#125 9,3d Ru(2) — 30 candidates
GT: {"O": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#126 10,3g Ru(2) — 30 candidates
GT: {"O": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#127 11 Ru(2) — 30 candidates
GT: {"O": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#128 12 Ru(2) — 30 candidates
GT: {"O": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#129 13,3c,1aCym Ru(2) — 30 candidates
GT: {"O": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#130 14,3f,3d Ru(2) — 30 candidates
GT: {"O": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#134 Ru4,Ru2 Ru(2) — 30 candidates
GT: {"N": 2, "Cl": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#135 Ru6 Ru(2) — 30 candidates
GT: {"O": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#139 RdU Ru(2) — 30 candidates
GT: {"O": 4} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#149 GA105 Ru(2) — 30 candidates
GT: {"O": 2, "P": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#151 RuL2 Ru(2) — 30 candidates
GT: {"O": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#152 RuL3,RAWQ03 Ru(2) — 30 candidates
GT: {"Cl": 1, "N": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#159 Ru1 Ru(2) — 18 candidates
GT: {"S": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#160 Ru2 Ru(2) — 18 candidates
GT: {"S": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#161 Ru3 Ru(2) — 18 candidates
GT: {"S": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#162 Ru4 Ru(2) — 18 candidates
GT: {"S": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#163 Ru5 Ru(2) — 30 candidates
GT: {"S": 1} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#164 Ru6 Ru(2) — 20 candidates
GT: {"S": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#165 Ru-Sora Ru(2) — 30 candidates
GT: {"O": 2} Pred: {"N": 5}
0.00
Candidates → Complex detail MOL 3D Viewer
#166 Ru-H2O,Ru-1c Ru(2) — 30 candidates
GT: {"O": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#167 Complex 1,11a Ru(2) — 30 candidates
GT: {"Cl": 1, "N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#168 Complex 2,11m Ru(2) — 30 candidates
GT: {"Cl": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#169 Complex 3 Ru(2) — 30 candidates
GT: {"Cl": 1} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#170 4a Ru(2) — 30 candidates
GT: {"Cl": 1} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#171 4b Ru(2) — 30 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#172 4c Ru(2) — 30 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#173 4d Ru(2) — 30 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
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