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
#175 4f Ru(2) — 30 candidates
GT: {"N": 1} Pred: {"N": 2}
0.50
Candidates → Complex detail MOL 3D Viewer
#178 4i Ru(2) — 30 candidates
GT: {"N": 1} Pred: {"N": 2}
0.50
Candidates → Complex detail MOL 3D Viewer
#179 4j Ru(2) — 30 candidates
GT: {"N": 1} Pred: {"N": 2}
0.50
Candidates → Complex detail MOL 3D Viewer
#182 4m Ru(2) — 30 candidates
GT: {"N": 2, "O": 2} Pred: {"N": 2}
0.50
Candidates → Complex detail MOL 3D Viewer
#183 4n Ru(2) — 30 candidates
GT: {"N": 1} Pred: {"N": 2}
0.50
Candidates → Complex detail MOL 3D Viewer
#186 4q Ru(2) — 30 candidates
GT: {"N": 2, "O": 2} Pred: {"N": 2}
0.50
Candidates → Complex detail MOL 3D Viewer
#196 2 Ru(2) — 30 candidates
GT: {"O": 1} Pred: {"O": 1, "N": 1}
0.50
Candidates → Complex detail MOL 3D Viewer
#197 3 Ru(2) — 30 candidates
GT: {"O": 1} Pred: {"O": 1, "N": 1}
0.50
Candidates → Complex detail MOL 3D Viewer
#198 4 Ru(2) — 30 candidates
GT: {"O": 1} Pred: {"N": 1, "O": 1}
0.50
Candidates → Complex detail MOL 3D Viewer
#201 4 Ru(3) — 30 candidates
GT: {"O": 2, "P": 1} Pred: {"O": 2, "S": 1}
0.50
Candidates → Complex detail MOL 3D Viewer
#203 1 Ru(2) — 30 candidates
GT: {"N": 1} Pred: {"N": 2}
0.50
Candidates → Complex detail MOL 3D Viewer
#204 1a Ru(2) — 30 candidates
GT: {"N": 1} Pred: {"N": 2}
0.50
Candidates → Complex detail MOL 3D Viewer
#205 2 Ru(2) — 30 candidates
GT: {"N": 1} Pred: {"N": 2}
0.50
Candidates → Complex detail MOL 3D Viewer
#206 3 Ru(2) — 30 candidates
GT: {"O": 1, "N": 7} Pred: {"N": 4}
0.50
Candidates → Complex detail MOL 3D Viewer
#207 4 Ru(2) — 30 candidates
GT: {"N": 7, "Cl": 1} Pred: {"N": 4}
0.50
Candidates → Complex detail MOL 3D Viewer
#208 5 Ru(2) — 30 candidates
GT: {"O": 1, "N": 7} Pred: {"N": 4}
0.50
Candidates → Complex detail MOL 3D Viewer
#210 7 Ru(2) — 30 candidates
GT: {"O": 1, "N": 7} Pred: {"N": 4}
0.50
Candidates → Complex detail MOL 3D Viewer
#211 8 Ru(2) — 30 candidates
GT: {"N": 7, "Cl": 1} Pred: {"N": 4}
0.50
Candidates → Complex detail MOL 3D Viewer
#212 9 Ru(2) — 30 candidates
GT: {"Cl": 1, "N": 7} Pred: {"N": 4}
0.50
Candidates → Complex detail MOL 3D Viewer
#216 [Ru(Hdpa)2(phen)]2+ 1 Ru(2) — 30 candidates
GT: {"N": 2} Pred: {"N": 4}
0.50
Candidates → Complex detail MOL 3D Viewer
#217 [Ru(Hdpa)2(5,6-dmp)]2+ 2 Ru(2) — 30 candidates
GT: {"N": 2} Pred: {"N": 4}
0.50
Candidates → Complex detail MOL 3D Viewer
#218 [Ru(Hdpa)2(dpq)]2+ 3 Ru(2) — 30 candidates
GT: {"N": 2} Pred: {"N": 4}
0.50
Candidates → Complex detail MOL 3D Viewer
#220 [Ru(Hdpa)2(dppz)]2+ 5 Ru(2) — 30 candidates
GT: {"N": 2} Pred: {"N": 4}
0.50
Candidates → Complex detail MOL 3D Viewer
#221 [Ru(bpy)2(dppz)]2+,CC-8,4,1,[Ru (bpy)2(dppz)]2+,Ru(bpy)2DPPZ Ru(2) — 30 candidates
GT: {"N": 8} Pred: {"N": 4}
0.50
Candidates → Complex detail MOL 3D Viewer
#227 6 Ru(2) — 30 candidates
GT: {"O": 1, "N": 1} Pred: {"O": 1}
0.50
Candidates → Complex detail MOL 3D Viewer
#229 2 Ru(2) — 30 candidates
GT: {"N": 1} Pred: {"N": 2}
0.50
Candidates → Complex detail MOL 3D Viewer
#230 3,1,2 Ru(2) — 30 candidates
GT: {"N": 1} Pred: {"N": 2}
0.50
Candidates → Complex detail MOL 3D Viewer
#232 5 Ru(2) — 30 candidates
GT: {"N": 8} Pred: {"N": 4}
0.50
Candidates → Complex detail MOL 3D Viewer
#241 C1 Ru(2) — 30 candidates
GT: {"O": 4} Pred: {"O": 2}
0.50
Candidates → Complex detail MOL 3D Viewer
#243 C3 Ru(2) — 30 candidates
GT: {"O": 4} Pred: {"O": 2}
0.50
Candidates → Complex detail MOL 3D Viewer
#251 3 Ru(2) — 30 candidates
GT: {"N": 6} Pred: {"N": 3}
0.50
Candidates → Complex detail MOL 3D Viewer
#264 Complex 1 Ru(2) — 30 candidates
GT: {"O": 1, "S": 1, "N": 1, "P": 1} Pred: {"N": 1, "O": 1}
0.50
Candidates → Complex detail MOL 3D Viewer
#271 4[NO3] Ru(2) — 24 candidates
GT: {"N": 1} Pred: {"N": 2}
0.50
Candidates → Complex detail MOL 3D Viewer
#273 6[CF3SO3] Ru(2) — 24 candidates
GT: {"N": 1} Pred: {"N": 2}
0.50
Candidates → Complex detail MOL 3D Viewer
#368 2d Ru(2) — 30 candidates
GT: {"N": 1} Pred: {"N": 2}
0.50
Candidates → Complex detail MOL 3D Viewer
#370 Ru-NH2 Ru(2) — 30 candidates
GT: {"N": 1} Pred: {"N": 2}
0.50
Candidates → Complex detail MOL 3D Viewer
#372 1 Ru(2) — 30 candidates
GT: {"O": 4} Pred: {"O": 2}
0.50
Candidates → Complex detail MOL 3D Viewer
#373 2 Ru(2) — 30 candidates
GT: {"O": 4} Pred: {"O": 2}
0.50
Candidates → Complex detail MOL 3D Viewer
#379 C4 Ru(2) — 30 candidates
GT: {"O": 1, "N": 1} Pred: {"N": 1}
0.50
Candidates → Complex detail MOL 3D Viewer
#398 2 Ru(2) — 30 candidates
GT: {"N": 8} Pred: {"N": 4}
0.50
Candidates → Complex detail MOL 3D Viewer
#402 Ru-PIP,1 Ru(2) — 30 candidates
GT: {"N": 1} Pred: {"N": 2}
0.50
Candidates → Complex detail MOL 3D Viewer
#418 RANHC-IV Ru(2) — 30 candidates
GT: {"O": 4} Pred: {"O": 2}
0.50
Candidates → Complex detail MOL 3D Viewer
#451 5,7,3d,5a,3 Ru(2) — 30 candidates
GT: {"O": 1} Pred: {"O": 1, "N": 1}
0.50
Candidates → Complex detail MOL 3D Viewer
#455 2 Ru(2) — 30 candidates
GT: {"O": 2, "N": 2} Pred: {"N": 2}
0.50
Candidates → Complex detail MOL 3D Viewer
#482 6 Ru(2) — 30 candidates
GT: {"N": 1} Pred: {"N": 2}
0.50
Candidates → Complex detail MOL 3D Viewer
#491 3a Ru(2) — 30 candidates
GT: {"O": 3} Pred: {"O": 2, "N": 1}
0.50
Candidates → Complex detail MOL 3D Viewer
#494 6a Ru(2) — 30 candidates
GT: {"O": 3} Pred: {"O": 2, "N": 1}
0.50
Candidates → Complex detail MOL 3D Viewer
#495 7a Ru(2) — 30 candidates
GT: {"O": 3} Pred: {"O": 2, "N": 1}
0.50
Candidates → Complex detail MOL 3D Viewer
#496 8a Ru(2) — 30 candidates
GT: {"O": 3} Pred: {"O": 2, "N": 1}
0.50
Candidates → Complex detail MOL 3D Viewer
#497 9a Ru(2) — 30 candidates
GT: {"O": 3} Pred: {"O": 2, "N": 1}
0.50
Candidates → Complex detail MOL 3D Viewer
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