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
#176 4g Ru(2) — 30 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#177 4h Ru(2) — 30 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#180 4k Ru(2) — 30 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#181 4l Ru(2) — 30 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#184 4o Ru(2) — 30 candidates
GT: {"N": 3, "O": 4} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#185 4p Ru(2) — 30 candidates
GT: {"N": 2, "O": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#187 4r Ru(2) — 30 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#188 [1a]Cl Ru(2) — 30 candidates
GT: {"Cl": 1, "N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#191 [2c]Cl Ru(2) — 30 candidates
GT: {"Cl": 1} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#193 [6c] Ru(2) — 30 candidates
GT: {"Cl": 1, "N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#194 [7c] Ru(2) — 30 candidates
GT: {"Cl": 1, "N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#195 1 Ru(2) — 30 candidates
GT: {"O": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#202 Rhein-Ru(bpy)3 Ru(2) — 30 candidates
GT: {"O": 5} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#214 11 Ru(2) — 30 candidates
GT: {"O": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#215 12 Ru(2) — 30 candidates
GT: {"O": 2} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#222 1 Ru(2) — 30 candidates
GT: {"O": 1, "N": 1} Pred: {"O": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#224 3 Ru(2) — 30 candidates
GT: {"O": 1, "N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#225 4 Ru(2) — 30 candidates
GT: {"O": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#237 [(η6-p-cym)Ru(tmtp)Cl2] (1) Ru(2) — 13 candidates
GT: {"Cl": 2} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#238 [(η6-p-cym)Ru(detp)Cl2] (2) Ru(2) — 16 candidates
GT: {"Cl": 2} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#239 [(η6-p-cym)Ru(HmtpO)Cl2] (3) Ru(2) — 17 candidates
GT: {"O": 1} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#240 NAMI-A,Nami-A Ru(3) — 3 candidates
GT: {"O": 1} Pred: {"S": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#244 P2,8b,R8,R-3a Ru(2) — 30 candidates
GT: {"P": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#245 P3 Ru(2) — 6 candidates
GT: {"Cl": 2} Pred: {"P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#246 Ru1 Ru(2) — 30 candidates
GT: {"P": 2, "O": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#247 Ru2 Ru(2) — 30 candidates
GT: {"P": 1, "O": 1} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#249 2 Ru(2) — 30 candidates
GT: {"N": 2, "P": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#254 AziRu,Azi-Ru Ru(3) — 8 candidates
GT: {"O": 1} Pred: {"S": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#258 [7]NO3,3 Ru(2) — 18 candidates
GT: {"O": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#267 Complex 4 Ru(2) — 30 candidates
GT: {"O": 1, "S": 1, "N": 1, "P": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#270 2[NO3] Ru(2) — 9 candidates
GT: {"Cl": 1} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#278 Ru3 Ru(2) — 30 candidates
GT: {"O": 2, "S": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#284 Ru9 Ru(2) — 30 candidates
GT: {"O": 1, "S": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#288 Ru13 Ru(2) — 30 candidates
GT: {"O": 1, "S": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#294 Ru1 Ru(2) — 30 candidates
GT: {"O": 1} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#295 Ru2 Ru(2) — 30 candidates
GT: {"O": 1} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#297 Ru1 Ru(2) — 30 candidates
GT: {"O": 3, "S": 1, "N": 1, "P": 1} Pred: {"P": 1, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#298 Ru2 Ru(2) — 30 candidates
GT: {"O": 3, "S": 1, "N": 1, "P": 1} Pred: {"P": 1, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#299 Ru3 Ru(2) — 30 candidates
GT: {"O": 3, "S": 1, "N": 1, "P": 1} Pred: {"P": 1, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#300 1 Ru(2) — 30 candidates
GT: {"O": 1} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#301 2 Ru(2) — 30 candidates
GT: {"O": 1} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#303 2 Ru(2) — 30 candidates
GT: {"S": 1, "N": 1, "P": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#315 RuL2 Ru(2) — 30 candidates
GT: {"O": 1} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#316 RuL3,19b Ru(2) — 30 candidates
GT: {"O": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#317 RuL4,19a Ru(2) — 30 candidates
GT: {"O": 1} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#320 RuL7 Ru(2) — 30 candidates
GT: {"N": 1, "O": 3} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#324 4d Ru(2) — 30 candidates
GT: {"N": 1, "Cl": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#325 4e Ru(2) — 30 candidates
GT: {"N": 1, "Cl": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#326 4f Ru(2) — 30 candidates
GT: {"N": 1, "Cl": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#327 4g Ru(2) — 30 candidates
GT: {"N": 1, "O": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
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