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
#116 7 Ru(2) — 30 candidates
GT: {"O": 1, "N": 2} Pred: {"O": 1}
0.33
Candidates → Complex detail MOL 3D Viewer
#117 8 Ru(2) — 30 candidates
GT: {"O": 1, "N": 2} Pred: {"O": 1}
0.33
Candidates → Complex detail MOL 3D Viewer
#140 [Ru(bpy)3]2+,RBMN,Ru(bpy)3 2+,1,RuB,Ru1,B3,Ru-1a,Rubpy,S1-bpy Ru(2) — 30 candidates
GT: {"N": 6} Pred: {"N": 2}
0.33
Candidates → Complex detail MOL 3D Viewer
#142 2 Ru(2) — 30 candidates
GT: {"N": 2, "O": 2} Pred: {"N": 4}
0.33
Candidates → Complex detail MOL 3D Viewer
#143 3 Ru(2) — 30 candidates
GT: {"N": 1} Pred: {"N": 3}
0.33
Candidates → Complex detail MOL 3D Viewer
#150 RuL1,[(η6-p-Cymene)Ru(aip)Cl]PF6 (3) Ru(2) — 30 candidates
GT: {"Cl": 1, "N": 1} Pred: {"N": 2}
0.33
Candidates → Complex detail MOL 3D Viewer
#153 RuL4 Ru(2) — 30 candidates
GT: {"Cl": 1, "N": 1} Pred: {"N": 2}
0.33
Candidates → Complex detail MOL 3D Viewer
#189 [1b]Cl Ru(2) — 30 candidates
GT: {"Cl": 1, "N": 1} Pred: {"N": 2}
0.33
Candidates → Complex detail MOL 3D Viewer
#190 [1c]Cl,[1c](BF4),4c,[(h6 -p-cymene)RuCl(2,20 -PyBIm)]PF6 Ru(2) — 30 candidates
GT: {"Cl": 1, "N": 1} Pred: {"N": 2}
0.33
Candidates → Complex detail MOL 3D Viewer
#192 [3c]Cl Ru(2) — 30 candidates
GT: {"Cl": 1, "N": 1} Pred: {"N": 2}
0.33
Candidates → Complex detail MOL 3D Viewer
#228 1,Ru0,2a Ru(2) — 30 candidates
GT: {"N": 1} Pred: {"N": 3}
0.33
Candidates → Complex detail MOL 3D Viewer
#260 2 Ru(2) — 30 candidates
GT: {"F": 2, "N": 4} Pred: {"N": 2}
0.33
Candidates → Complex detail MOL 3D Viewer
#262 4 Ru(2) — 30 candidates
GT: {"Br": 2, "N": 4} Pred: {"N": 2}
0.33
Candidates → Complex detail MOL 3D Viewer
#274 1[PF6] Ru(2) — 10 candidates
GT: {"N": 1, "O": 1} Pred: {"N": 2}
0.33
Candidates → Complex detail MOL 3D Viewer
#275 3[NO3] Ru(2) — 26 candidates
GT: {"N": 1, "O": 1} Pred: {"N": 2}
0.33
Candidates → Complex detail MOL 3D Viewer
#293 RUNAT-BI Ru(2) — 5 candidates
GT: {"Cl": 2, "N": 4} Pred: {"N": 2}
0.33
Candidates → Complex detail MOL 3D Viewer
#296 Ru3,1,6,D2P Ru(2) — 30 candidates
GT: {"N": 6} Pred: {"N": 2}
0.33
Candidates → Complex detail MOL 3D Viewer
#305 Ru(BAC) Ru(2) — 30 candidates
GT: {"O": 2, "P": 1} Pred: {"O": 1}
0.33
Candidates → Complex detail MOL 3D Viewer
#307 Ru(EGA) Ru(2) — 30 candidates
GT: {"O": 5, "P": 1} Pred: {"O": 2}
0.33
Candidates → Complex detail MOL 3D Viewer
#311 1,Ru4 Ru(2) — 30 candidates
GT: {"N": 1} Pred: {"N": 3}
0.33
Candidates → Complex detail MOL 3D Viewer
#318 RuL5 Ru(2) — 30 candidates
GT: {"N": 1, "Cl": 1} Pred: {"N": 2}
0.33
Candidates → Complex detail MOL 3D Viewer
#319 RuL6 Ru(2) — 30 candidates
GT: {"N": 1, "Cl": 1} Pred: {"N": 2}
0.33
Candidates → Complex detail MOL 3D Viewer
#321 4a Ru(2) — 30 candidates
GT: {"Cl": 1, "N": 1} Pred: {"N": 2}
0.33
Candidates → Complex detail MOL 3D Viewer
#322 4b Ru(2) — 30 candidates
GT: {"N": 1, "Cl": 1} Pred: {"N": 2}
0.33
Candidates → Complex detail MOL 3D Viewer
#323 4c Ru(2) — 30 candidates
GT: {"N": 1, "Cl": 1} Pred: {"N": 2}
0.33
Candidates → Complex detail MOL 3D Viewer
#331 RPC1,[Ru(phen)3]2+,5,2,P3 Ru(2) — 30 candidates
GT: {"N": 6} Pred: {"N": 2}
0.33
Candidates → Complex detail MOL 3D Viewer
#347 Ru(6) Ru(2) — 30 candidates
GT: {"O": 4, "P": 2} Pred: {"O": 1, "P": 1}
0.33
Candidates → Complex detail MOL 3D Viewer
#360 Ru10 Ru(2) — 30 candidates
GT: {"O": 5, "N": 3, "P": 1} Pred: {"N": 2, "P": 1}
0.33
Candidates → Complex detail MOL 3D Viewer
#369 3d,Ru2 Ru(2) — 30 candidates
GT: {"N": 1} Pred: {"N": 3}
0.33
Candidates → Complex detail MOL 3D Viewer
#384 Ru(II)-3 Ru(2) — 30 candidates
GT: {"N": 1} Pred: {"N": 3}
0.33
Candidates → Complex detail MOL 3D Viewer
#393 [Ru(TAP)2phen]2+ Ru(2) — 30 candidates
GT: {"N": 6} Pred: {"N": 2}
0.33
Candidates → Complex detail MOL 3D Viewer
#401 2b Ru(2) — 30 candidates
GT: {"O": 2} Pred: {"O": 1, "N": 1}
0.33
Candidates → Complex detail MOL 3D Viewer
#423 [Ru(C6Me6)L1Cl] (1) Ru(2) — 30 candidates
GT: {"O": 1, "N": 1} Pred: {"N": 2}
0.33
Candidates → Complex detail MOL 3D Viewer
#436 8a Ru(2) — 30 candidates
GT: {"O": 3} Pred: {"O": 1}
0.33
Candidates → Complex detail MOL 3D Viewer
#437 8b Ru(2) — 30 candidates
GT: {"O": 3} Pred: {"O": 1}
0.33
Candidates → Complex detail MOL 3D Viewer
#439 8d Ru(2) — 30 candidates
GT: {"O": 3} Pred: {"O": 1}
0.33
Candidates → Complex detail MOL 3D Viewer
#444 1 Ru(2) — 30 candidates
GT: {"O": 2} Pred: {"N": 1, "O": 1}
0.33
Candidates → Complex detail MOL 3D Viewer
#445 2 Ru(2) — 30 candidates
GT: {"O": 2} Pred: {"N": 1, "O": 1}
0.33
Candidates → Complex detail MOL 3D Viewer
#462 RuAEM Ru(2) — 9 candidates
GT: {"N": 1, "Cl": 1} Pred: {"N": 2}
0.33
Candidates → Complex detail MOL 3D Viewer
#473 Ru1,RuL1 Ru(2) — 30 candidates
GT: {"N": 1} Pred: {"N": 3}
0.33
Candidates → Complex detail MOL 3D Viewer
#503 1,С1 Ru(2) — 30 candidates
GT: {"O": 2} Pred: {"O": 1, "N": 1}
0.33
Candidates → Complex detail MOL 3D Viewer
#504 2,3 Ru(2) — 30 candidates
GT: {"Cl": 2, "N": 1} Pred: {"N": 1}
0.33
Candidates → Complex detail MOL 3D Viewer
#524 1a Ru(2) — 30 candidates
GT: {"O": 3} Pred: {"O": 1}
0.33
Candidates → Complex detail MOL 3D Viewer
#546 5 Ru(2) — 30 candidates
GT: {"O": 1, "P": 1} Pred: {"N": 1, "P": 1}
0.33
Candidates → Complex detail MOL 3D Viewer
#552 Ru0,Ru1 Ru(2) — 30 candidates
GT: {"N": 1} Pred: {"N": 3}
0.33
Candidates → Complex detail MOL 3D Viewer
#555 Ru2 Ru(2) — 30 candidates
GT: {"N": 1} Pred: {"N": 3}
0.33
Candidates → Complex detail MOL 3D Viewer
#571 Complex 2 Ru(2) — 30 candidates
GT: {"O": 1, "N": 2} Pred: {"N": 1}
0.33
Candidates → Complex detail MOL 3D Viewer
#582 1 Ru(2) — 30 candidates
GT: {"N": 1} Pred: {"N": 3}
0.33
Candidates → Complex detail MOL 3D Viewer
#583 [RuLCl] Ru(2) — 30 candidates
GT: {"O": 2, "N": 1} Pred: {"N": 1}
0.33
Candidates → Complex detail MOL 3D Viewer
#589 1 Ru(2) — 30 candidates
GT: {"N": 1} Pred: {"N": 3}
0.33
Candidates → Complex detail MOL 3D Viewer
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