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
#215 12 Ru(2) — 3 candidates
GT: {"N": 7} Pred: {"N": 10}
0.00
Candidates → Complex detail MOL 3D Viewer
#218 [Ru(Hdpa)2(dpq)]2+ 3 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 12}
0.00
Candidates → Complex detail MOL 3D Viewer
#222 1 Ru(2) — 2 candidates
GT: {"N": 1, "O": 1} Pred: {"O": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#223 2 Ru(2) — 2 candidates
GT: {"N": 1, "O": 1} Pred: {"O": 1, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#224 3 Ru(2) — 2 candidates
GT: {"N": 2, "O": 1} Pred: {"O": 2, "N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#225 4 Ru(2) — 2 candidates
GT: {"N": 2, "O": 1} Pred: {"N": 2, "O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#226 5 Ru(2) — 2 candidates
GT: {"N": 2, "O": 1} Pred: {"N": 2, "O": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#227 6 Ru(2) — 2 candidates
GT: {"N": 2, "O": 1} Pred: {"O": 2, "N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#237 [(η6-p-cym)Ru(tmtp)Cl2] (1) Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#238 [(η6-p-cym)Ru(detp)Cl2] (2) Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#239 [(η6-p-cym)Ru(HmtpO)Cl2] (3) Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#241 C1 Ru(2) — 2 candidates
GT: {"O": 1} Pred: {"O": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#242 C2 Ru(2) — 3 candidates
GT: {"O": 1, "P": 1} Pred: {"O": 2, "P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#243 C3 Ru(2) — 3 candidates
GT: {"P": 1, "O": 1} Pred: {"P": 3, "O": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#244 P2,8b,R8,R-3a Ru(2) — 2 candidates
GT: {"P": 1} Pred: {"P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#245 P3 Ru(2) — 2 candidates
GT: {"P": 1} Pred: {"P": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#249 2 Ru(2) — 4 candidates
GT: {"N": 5, "P": 2} Pred: {"N": 4, "P": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#251 3 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 8}
0.00
Candidates → Complex detail MOL 3D Viewer
#253 BOLD-100,[InH][RuCl4(In)2],KP1019,NKP-1339,KP1339,(Hind)[RuIIICl4(ind)2], 3,1,2 Ru(3) — 2 candidates
GT: {"N": 4} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#254 AziRu,Azi-Ru Ru(3) — 2 candidates
GT: {"S": 1, "O": 1, "N": 1} Pred: {"S": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#255 [1]NO3 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"O": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#256 [3]NO3 Ru(3) — 2 candidates
GT: {"N": 4, "O": 1} Pred: {"O": 2, "N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#257 [5]NO3 Ru(3) — 2 candidates
GT: {"N": 6, "O": 1} Pred: {"O": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#258 [7]NO3,3 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#266 Complex 3 Ru(2) — 3 candidates
GT: {"N": 4, "O": 1, "P": 2} Pred: {"O": 3, "S": 3, "N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#269 Complex 6 Ru(2) — 3 candidates
GT: {"N": 4, "O": 1, "P": 2} Pred: {"O": 3, "S": 3, "N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#270 2[NO3] Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#271 4[NO3] Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#272 5[NO3] Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#273 6[CF3SO3] Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#274 1[PF6] Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#275 3[NO3] Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#276 Ru1 Ru(2) — 2 candidates
GT: {"O": 1} Pred: {"O": 2, "S": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#277 Ru2 Ru(2) — 2 candidates
GT: {"O": 1} Pred: {"O": 2, "S": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#278 Ru3 Ru(2) — 2 candidates
GT: {"O": 1} Pred: {"O": 2, "S": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#279 Ru4 Ru(2) — 2 candidates
GT: {"O": 1} Pred: {"O": 2, "S": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#280 Ru5 Ru(2) — 2 candidates
GT: {"O": 1} Pred: {"O": 2, "S": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#281 Ru6 Ru(2) — 2 candidates
GT: {"O": 1} Pred: {"O": 2, "S": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#282 Ru7 Ru(2) — 2 candidates
GT: {"O": 1} Pred: {"S": 2, "O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#283 Ru8 Ru(2) — 2 candidates
GT: {"O": 1} Pred: {"S": 2, "O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#284 Ru9 Ru(2) — 2 candidates
GT: {"O": 1} Pred: {"S": 2, "O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#285 Ru10 Ru(2) — 2 candidates
GT: {"O": 1} Pred: {"O": 2, "S": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#286 Ru11 Ru(2) — 2 candidates
GT: {"O": 1} Pred: {"O": 2, "S": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#287 Ru12 Ru(2) — 2 candidates
GT: {"O": 1} Pred: {"O": 2, "S": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#288 Ru13 Ru(2) — 2 candidates
GT: {"O": 1} Pred: {"S": 2, "O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#289 Ru14 Ru(2) — 2 candidates
GT: {"O": 1} Pred: {"S": 2, "O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#290 Ru15 Ru(2) — 2 candidates
GT: {"O": 1} Pred: {"S": 2, "O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#291 Ru16 Ru(2) — 2 candidates
GT: {"O": 1} Pred: {"S": 2, "O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#292 Ru17 Ru(2) — 2 candidates
GT: {"O": 1} Pred: {"S": 2, "O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#297 Ru1 Ru(2) — 2 candidates
GT: {"O": 1, "N": 1, "P": 1} Pred: {"P": 2, "N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
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