homecomplexesD-MPNN

D-MPNN Donor Prediction

rdmetallics.net (363) — 363 complexes
rdmetallics.net (363)Sequential multi-lig (7058)Single-ligand (939)⇄ Compare
104
Exact (1.0)
250
Partial (>0)
9
No match
0.742
Mean score
Reset
#339 Ru1 Ru(2) — 63 candidates
GT: {"N": 6} Pred: {"N": 2}
0.96
Candidates → Complex detail MOL 3D Viewer
#340 Ru2 Ru(2) — 57 candidates
GT: {"N": 6} Pred: {"N": 2}
0.96
Candidates → Complex detail MOL 3D Viewer
#341 Ru3 Ru(2) — 115 candidates
GT: {"N": 6} Pred: {"N": 2}
0.96
Candidates → Complex detail MOL 3D Viewer
#1021 3 Ru(2) — 19 candidates
GT: {"N": 6} Pred: {"N": 2}
0.96
Candidates → Complex detail MOL 3D Viewer
#111 2 Ru(2) — 27 candidates
GT: {"O": 1, "N": 2} Pred: {"N": 1, "O": 1}
0.95
Candidates → Complex detail MOL 3D Viewer
#112 3 Ru(2) — 20 candidates
GT: {"O": 1, "N": 2} Pred: {"N": 1, "O": 1}
0.95
Candidates → Complex detail MOL 3D Viewer
#74 Ru1 Ru(2) — 115 candidates
GT: {"N": 6} Pred: {"N": 2}
0.94
Candidates → Complex detail MOL 3D Viewer
#75 Ru2 Ru(2) — 115 candidates
GT: {"N": 6} Pred: {"N": 2}
0.94
Candidates → Complex detail MOL 3D Viewer
#77 Ru4 Ru(2) — 109 candidates
GT: {"N": 6} Pred: {"N": 2}
0.94
Candidates → Complex detail MOL 3D Viewer
#79 Ru6 Ru(2) — 167 candidates
GT: {"N": 6} Pred: {"N": 2}
0.94
Candidates → Complex detail MOL 3D Viewer
#110 1 Ru(2) — 40 candidates
GT: {"O": 1, "N": 2} Pred: {"O": 1, "N": 1}
0.94
Candidates → Complex detail MOL 3D Viewer
#202 Rhein-Ru(bpy)3 Ru(2) — 86 candidates
GT: {"N": 7} Pred: {"N": 2}
0.94
Candidates → Complex detail MOL 3D Viewer
#82 [Ru(DIP)2(5-OHF)](PF6) Ru(2) — 132 candidates
GT: {"O": 1, "N": 4} Pred: {"O": 2}
0.93
Candidates → Complex detail MOL 3D Viewer
#83 [Ru(DIP)2(gen)](PF6) Ru(2) — 106 candidates
GT: {"O": 1, "N": 4} Pred: {"O": 2}
0.93
Candidates → Complex detail MOL 3D Viewer
#313 3 Ru(2) — 112 candidates
GT: {"N": 6} Pred: {"N": 2}
0.93
Candidates → Complex detail MOL 3D Viewer
#324 4d Ru(2) — 44 candidates
GT: {"N": 5} Pred: {"N": 2}
0.93
Candidates → Complex detail MOL 3D Viewer
#44 3c,5,RuPOP,4 Ru(2) — 37 candidates
GT: {"N": 8} Pred: {"N": 2}
0.92
Candidates → Complex detail MOL 3D Viewer
#95 Ru1 Ru(2) — 80 candidates
GT: {"S": 1, "N": 2, "P": 3} Pred: {"N": 1, "S": 1}
0.92
Candidates → Complex detail MOL 3D Viewer
#231 4,6,3 Ru(2) — 38 candidates
GT: {"N": 8} Pred: {"N": 2}
0.92
Candidates → Complex detail MOL 3D Viewer
#305 Ru(BAC) Ru(2) — 65 candidates
GT: {"O": 1, "N": 2, "P": 2} Pred: {"O": 1}
0.92
Candidates → Complex detail MOL 3D Viewer
#322 4b Ru(2) — 41 candidates
GT: {"N": 4} Pred: {"N": 2}
0.92
Candidates → Complex detail MOL 3D Viewer
#47 2a Ru(2) — 39 candidates
GT: {"O": 1, "N": 1} Pred: {"O": 1, "N": 1}
0.91
Candidates → Complex detail MOL 3D Viewer
#96 Ru2 Ru(2) — 82 candidates
GT: {"S": 1, "N": 3, "P": 3} Pred: {"P": 3, "S": 1, "N": 1}
0.91
Candidates → Complex detail MOL 3D Viewer
#100 3 Ru(2) — 62 candidates
GT: {"O": 1, "N": 2} Pred: {"N": 1, "O": 1}
0.90
Candidates → Complex detail MOL 3D Viewer
#103 6 Ru(2) — 59 candidates
GT: {"O": 1, "N": 2} Pred: {"N": 1, "O": 1}
0.90
Candidates → Complex detail MOL 3D Viewer
#230 3,1,2 Ru(2) — 83 candidates
GT: {"N": 8} Pred: {"N": 2}
0.90
Candidates → Complex detail MOL 3D Viewer
#306 Ru(GAC) Ru(2) — 57 candidates
GT: {"O": 1, "N": 2, "P": 2} Pred: {"O": 1}
0.90
Candidates → Complex detail MOL 3D Viewer
#326 4f Ru(2) — 41 candidates
GT: {"N": 4} Pred: {"N": 2}
0.90
Candidates → Complex detail MOL 3D Viewer
#84 [Ru(DIP)2(chr)](OTf) Ru(2) — 119 candidates
GT: {"O": 1, "N": 4} Pred: {"O": 2}
0.89
Candidates → Complex detail MOL 3D Viewer
#99 2 Ru(2) — 62 candidates
GT: {"O": 1, "N": 2} Pred: {"N": 1, "O": 1}
0.89
Candidates → Complex detail MOL 3D Viewer
#156 Δ-Ru1 Ru(2) — 100 candidates
GT: {"N": 8} Pred: {"N": 2}
0.89
Candidates → Complex detail MOL 3D Viewer
#239 [(η6-p-cym)Ru(HmtpO)Cl2] (3) Ru(2) — 12 candidates
GT: {"N": 4} Pred: {"N": 1}
0.89
Candidates → Complex detail MOL 3D Viewer
#315 RuL2 Ru(2) — 54 candidates
GT: {"N": 4} Pred: {"N": 2}
0.89
Candidates → Complex detail MOL 3D Viewer
#316 RuL3,19b Ru(2) — 45 candidates
GT: {"N": 4} Pred: {"N": 2}
0.89
Candidates → Complex detail MOL 3D Viewer
#1553 3 Ru(2) — 19 candidates
GT: {"N": 8} Pred: {"N": 2}
0.89
Candidates → Complex detail MOL 3D Viewer
#40 2a,[Ru(bpy)2p-NPIP]2+ Ru(2) — 81 candidates
GT: {"O": 1, "N": 5} Pred: {"N": 2}
0.88
Candidates → Complex detail MOL 3D Viewer
#42 3a,7,[Ru(phen)2p-NPIP]2+ Ru(2) — 75 candidates
GT: {"O": 1, "N": 5} Pred: {"N": 2}
0.88
Candidates → Complex detail MOL 3D Viewer
#48 2b Ru(2) — 66 candidates
GT: {"O": 1, "N": 1} Pred: {"O": 1, "N": 1}
0.88
Candidates → Complex detail MOL 3D Viewer
#310 Ru-IM-BODIPY (3b) Ru(2) — 151 candidates
GT: {"N": 5, "P": 1} Pred: {"O": 1, "N": 1}
0.88
Candidates → Complex detail MOL 3D Viewer
#49 5a Ru(2) — 36 candidates
GT: {"O": 1, "N": 1} Pred: {"N": 1, "O": 1}
0.87
Candidates → Complex detail MOL 3D Viewer
#98 1 Ru(2) — 84 candidates
GT: {"O": 1, "N": 2} Pred: {"O": 1, "N": 1}
0.87
Candidates → Complex detail MOL 3D Viewer
#145 Ru(II)-1 Ru(2) — 54 candidates
GT: {"N": 8} Pred: {"N": 2}
0.87
Candidates → Complex detail MOL 3D Viewer
#238 [(η6-p-cym)Ru(detp)Cl2] (2) Ru(2) — 11 candidates
GT: {"N": 4} Pred: {"N": 1}
0.84
Candidates → Complex detail MOL 3D Viewer
#344 Ru(3) Ru(2) — 59 candidates
GT: {"O": 1, "N": 2, "P": 2} Pred: {"O": 1}
0.84
Candidates → Complex detail MOL 3D Viewer
#119 4 Ru(2) — 147 candidates
GT: {"O": 1, "P": 2} Pred: {"O": 1}
0.83
Candidates → Complex detail MOL 3D Viewer
#41 2b Ru(2) — 75 candidates
GT: {"O": 1, "N": 5} Pred: {"N": 2}
0.82
Candidates → Complex detail MOL 3D Viewer
#118 3 Ru(2) — 147 candidates
GT: {"O": 1, "P": 2} Pred: {"O": 1}
0.82
Candidates → Complex detail MOL 3D Viewer
#148 2 Ru(2) — 87 candidates
GT: {"O": 1, "P": 4} Pred: {"O": 2}
0.82
Candidates → Complex detail MOL 3D Viewer
#342 Ru(1) Ru(2) — 66 candidates
GT: {"O": 1, "N": 2, "P": 2} Pred: {"O": 1}
0.80
Candidates → Complex detail MOL 3D Viewer
#1451 complex 1 Ru(2) — 32 candidates
GT: {"S": 1, "O": 2, "N": 1} Pred: {"O": 1}
0.80
Candidates → Complex detail MOL 3D Viewer
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