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
#43 3b,1,3 Ru(2) — 93 candidates
GT: {"N": 8} Pred: {"N": 2}
0.79
Candidates → Complex detail MOL 3D Viewer
#2 Ru-Cur,7,[(η6-p-Cymene) Ru(Curc)Cl],Ru‐Cur Ru(2) — 33 candidates
GT: {"O": 1} Pred: {"O": 2}
0.78
Candidates → Complex detail MOL 3D Viewer
#70 1,4 Ru(2) — 63 candidates
GT: {"O": 1, "N": 4} Pred: {"O": 2}
0.78
Candidates → Complex detail MOL 3D Viewer
#71 2 Ru(2) — 46 candidates
GT: {"O": 1, "N": 6} Pred: {"O": 2}
0.78
Candidates → Complex detail MOL 3D Viewer
#123 Ru3 Ru(2) — 88 candidates
GT: {"O": 1, "N": 2, "P": 2} Pred: {"O": 2}
0.78
Candidates → Complex detail MOL 3D Viewer
#309 Ru-IM-BODIPY (3a) Ru(2) — 71 candidates
GT: {"P": 1, "N": 3} Pred: {"O": 1, "N": 1}
0.78
Candidates → Complex detail MOL 3D Viewer
#216 [Ru(Hdpa)2(phen)]2+ 1 Ru(2) — 48 candidates
GT: {"N": 8} Pred: {"N": 2}
0.77
Candidates → Complex detail MOL 3D Viewer
#218 [Ru(Hdpa)2(dpq)]2+ 3 Ru(2) — 53 candidates
GT: {"N": 6} Pred: {"N": 2}
0.77
Candidates → Complex detail MOL 3D Viewer
#220 [Ru(Hdpa)2(dppz)]2+ 5 Ru(2) — 75 candidates
GT: {"N": 6} Pred: {"N": 2}
0.77
Candidates → Complex detail MOL 3D Viewer
#50 5b Ru(2) — 63 candidates
GT: {"O": 1, "N": 1} Pred: {"O": 1, "N": 1}
0.76
Candidates → Complex detail MOL 3D Viewer
#266 Complex 3 Ru(2) — 59 candidates
GT: {"N": 4, "O": 1, "P": 2} Pred: {"O": 1, "S": 1, "N": 2, "P": 2}
0.75
Candidates → Complex detail MOL 3D Viewer
#277 Ru2 Ru(2) — 24 candidates
GT: {"O": 1} Pred: {"O": 1, "S": 1}
0.75
Candidates → Complex detail MOL 3D Viewer
#281 Ru6 Ru(2) — 15 candidates
GT: {"O": 1} Pred: {"O": 1, "S": 1}
0.75
Candidates → Complex detail MOL 3D Viewer
#285 Ru10 Ru(2) — 18 candidates
GT: {"O": 1} Pred: {"O": 1, "S": 1}
0.75
Candidates → Complex detail MOL 3D Viewer
#286 Ru11 Ru(2) — 14 candidates
GT: {"O": 1} Pred: {"O": 1, "S": 1}
0.75
Candidates → Complex detail MOL 3D Viewer
#343 Ru(2) Ru(2) — 59 candidates
GT: {"N": 3, "O": 1, "P": 2} Pred: {"O": 1}
0.75
Candidates → Complex detail MOL 3D Viewer
#264 Complex 1 Ru(2) — 68 candidates
GT: {"N": 4, "O": 1, "P": 2} Pred: {"O": 1, "S": 1, "N": 2, "P": 2}
0.74
Candidates → Complex detail MOL 3D Viewer
#276 Ru1 Ru(2) — 24 candidates
GT: {"O": 1} Pred: {"O": 1, "S": 1}
0.74
Candidates → Complex detail MOL 3D Viewer
#279 Ru4 Ru(2) — 15 candidates
GT: {"O": 1} Pred: {"O": 1, "S": 1}
0.74
Candidates → Complex detail MOL 3D Viewer
#282 Ru7 Ru(2) — 18 candidates
GT: {"O": 1} Pred: {"S": 1, "O": 1}
0.74
Candidates → Complex detail MOL 3D Viewer
#283 Ru8 Ru(2) — 14 candidates
GT: {"O": 1} Pred: {"S": 1, "O": 1}
0.74
Candidates → Complex detail MOL 3D Viewer
#289 Ru14 Ru(2) — 14 candidates
GT: {"O": 1} Pred: {"S": 1, "O": 1}
0.74
Candidates → Complex detail MOL 3D Viewer
#265 Complex 2 Ru(2) — 61 candidates
GT: {"N": 4, "O": 1, "P": 2} Pred: {"O": 1, "S": 1, "N": 2, "P": 2}
0.73
Candidates → Complex detail MOL 3D Viewer
#267 Complex 4 Ru(2) — 68 candidates
GT: {"N": 4, "O": 1, "P": 2} Pred: {"O": 1, "S": 1, "N": 2, "P": 2}
0.73
Candidates → Complex detail MOL 3D Viewer
#269 Complex 6 Ru(2) — 59 candidates
GT: {"N": 4, "O": 1, "P": 2} Pred: {"O": 1, "S": 1, "N": 2, "P": 2}
0.73
Candidates → Complex detail MOL 3D Viewer
#288 Ru13 Ru(2) — 18 candidates
GT: {"O": 1} Pred: {"S": 1, "O": 1}
0.73
Candidates → Complex detail MOL 3D Viewer
#85 [Ru(DIP)2(mor)](OTf) Ru(2) — 117 candidates
GT: {"O": 1, "N": 4} Pred: {"O": 2}
0.72
Candidates → Complex detail MOL 3D Viewer
#268 Complex 5 Ru(2) — 61 candidates
GT: {"N": 4, "O": 1, "P": 2} Pred: {"O": 1, "S": 1, "N": 2, "P": 2}
0.72
Candidates → Complex detail MOL 3D Viewer
#292 Ru17 Ru(2) — 14 candidates
GT: {"O": 1} Pred: {"S": 1, "O": 1}
0.71
Candidates → Complex detail MOL 3D Viewer
#280 Ru5 Ru(2) — 19 candidates
GT: {"O": 1} Pred: {"O": 1, "S": 1}
0.70
Candidates → Complex detail MOL 3D Viewer
#291 Ru16 Ru(2) — 18 candidates
GT: {"O": 1} Pred: {"S": 1, "O": 1}
0.70
Candidates → Complex detail MOL 3D Viewer
#1017 9 Ru(2) — 2 candidates
GT: {"N": 5, "P": 1, "O": 1} Pred: {}
0.70
Candidates → Complex detail MOL 3D Viewer
#60 Ru1 Ru(2) — 39 candidates
GT: {"N": 6} Pred: {"N": 1}
0.69
Candidates → Complex detail MOL 3D Viewer
#61 Ru2 Ru(2) — 56 candidates
GT: {"N": 6} Pred: {"N": 1}
0.69
Candidates → Complex detail MOL 3D Viewer
#63 Ru4 Ru(2) — 53 candidates
GT: {"N": 6} Pred: {"N": 1}
0.69
Candidates → Complex detail MOL 3D Viewer
#278 Ru3 Ru(2) — 19 candidates
GT: {"O": 1} Pred: {"O": 1, "S": 1}
0.69
Candidates → Complex detail MOL 3D Viewer
#121 Ru1 Ru(2) — 69 candidates
GT: {"O": 1, "N": 2, "P": 2} Pred: {"O": 1}
0.68
Candidates → Complex detail MOL 3D Viewer
#225 4 Ru(2) — 30 candidates
GT: {"N": 2, "O": 1} Pred: {"N": 1, "O": 1}
0.68
Candidates → Complex detail MOL 3D Viewer
#68 Ru9 Ru(2) — 27 candidates
GT: {"N": 6} Pred: {"N": 1}
0.66
Candidates → Complex detail MOL 3D Viewer
#69 Ru10 Ru(2) — 25 candidates
GT: {"N": 6} Pred: {"N": 1}
0.66
Candidates → Complex detail MOL 3D Viewer
#196 2 Ru(2) — 37 candidates
GT: {"N": 2, "O": 1} Pred: {"O": 1, "N": 1}
0.66
Candidates → Complex detail MOL 3D Viewer
#64 Ru5 Ru(2) — 13 candidates
GT: {"N": 6} Pred: {"N": 1}
0.65
Candidates → Complex detail MOL 3D Viewer
#65 Ru6 Ru(2) — 30 candidates
GT: {"N": 6} Pred: {"N": 1}
0.65
Candidates → Complex detail MOL 3D Viewer
#66 Ru7 Ru(2) — 21 candidates
GT: {"N": 6} Pred: {"N": 1}
0.65
Candidates → Complex detail MOL 3D Viewer
#67 Ru8 Ru(2) — 27 candidates
GT: {"N": 6} Pred: {"N": 1}
0.65
Candidates → Complex detail MOL 3D Viewer
#297 Ru1 Ru(2) — 79 candidates
GT: {"O": 1, "N": 1, "P": 1} Pred: {"P": 1, "N": 1}
0.65
Candidates → Complex detail MOL 3D Viewer
#298 Ru2 Ru(2) — 82 candidates
GT: {"O": 1, "N": 1, "P": 1} Pred: {"P": 1, "N": 1}
0.65
Candidates → Complex detail MOL 3D Viewer
#299 Ru3 Ru(2) — 88 candidates
GT: {"O": 2, "N": 1, "P": 1} Pred: {"P": 1, "N": 1}
0.65
Candidates → Complex detail MOL 3D Viewer
#972 Complex (4) Ru(2) — 1 candidates
GT: {"N": 2, "O": 2, "P": 2} Pred: {"O": 1}
0.65
Candidates → Complex detail MOL 3D Viewer
#197 3 Ru(2) — 30 candidates
GT: {"N": 2, "O": 1} Pred: {"O": 1, "N": 1}
0.64
Candidates → Complex detail MOL 3D Viewer
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