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
#1023 5 Ru(2) — 50 candidates
GT: {"N": 6} Pred: {"N": 2}
0.99
Candidates → Complex detail MOL 3D Viewer
#1448 5 Ru(2) — 21 candidates
GT: {"O": 2, "N": 2, "P": 2} Pred: {"P": 1}
0.99
Candidates → Complex detail MOL 3D Viewer
#1449 6 Ru(2) — 21 candidates
GT: {"O": 2, "N": 2, "P": 2} Pred: {"P": 1}
0.99
Candidates → Complex detail MOL 3D Viewer
#1555 2 Ru(2) — 40 candidates
GT: {"N": 8} Pred: {"N": 2}
0.99
Candidates → Complex detail MOL 3D Viewer
#51 1a Ru(2) — 16 candidates
GT: {"S": 2, "O": 4} Pred: {"O": 2}
0.98
Candidates → Complex detail MOL 3D Viewer
#52 2a Ru(2) — 16 candidates
GT: {"O": 4, "S": 2} Pred: {"O": 2}
0.98
Candidates → Complex detail MOL 3D Viewer
#57 3 Ru(2) — 20 candidates
GT: {"S": 1, "O": 2, "N": 2} Pred: {"S": 2}
0.98
Candidates → Complex detail MOL 3D Viewer
#72 [Ru(DIP)2(mal)](PF6),[Ru(DIP)2(mlt)](PF6) Ru(2) — 51 candidates
GT: {"O": 1, "N": 4} Pred: {"O": 2}
0.98
Candidates → Complex detail MOL 3D Viewer
#73 RuCl2(DIP)2,Ru(DIP)2Cl2,Ru(dip)2Cl2,cis-[Ru(DIP)2Cl2] Ru(2) — 43 candidates
GT: {"N": 4} Pred: {"N": 2}
0.98
Candidates → Complex detail MOL 3D Viewer
#127 11 Ru(2) — 59 candidates
GT: {"O": 1} Pred: {"O": 2}
0.98
Candidates → Complex detail MOL 3D Viewer
#132 Ru2 Ru(2) — 19 candidates
GT: {"N": 2} Pred: {"N": 2}
0.98
Candidates → Complex detail MOL 3D Viewer
#133 Ru3 Ru(2) — 19 candidates
GT: {"N": 2} Pred: {"N": 2}
0.98
Candidates → Complex detail MOL 3D Viewer
#141 1 Ru(2) — 88 candidates
GT: {"N": 7} Pred: {"N": 3}
0.98
Candidates → Complex detail MOL 3D Viewer
#142 2 Ru(2) — 48 candidates
GT: {"N": 8} Pred: {"N": 3}
0.98
Candidates → Complex detail MOL 3D Viewer
#143 3 Ru(2) — 91 candidates
GT: {"N": 8} Pred: {"N": 3}
0.98
Candidates → Complex detail MOL 3D Viewer
#144 4 Ru(2) — 48 candidates
GT: {"N": 6} Pred: {"N": 3}
0.98
Candidates → Complex detail MOL 3D Viewer
#146 Ru(II)-2 Ru(2) — 67 candidates
GT: {"N": 8} Pred: {"N": 2}
0.98
Candidates → Complex detail MOL 3D Viewer
#205 2 Ru(2) — 50 candidates
GT: {"N": 7} Pred: {"N": 2}
0.98
Candidates → Complex detail MOL 3D Viewer
#207 4 Ru(2) — 82 candidates
GT: {"N": 7} Pred: {"N": 2}
0.98
Candidates → Complex detail MOL 3D Viewer
#209 6 Ru(2) — 83 candidates
GT: {"N": 7} Pred: {"N": 2}
0.98
Candidates → Complex detail MOL 3D Viewer
#211 8 Ru(2) — 87 candidates
GT: {"N": 7} Pred: {"N": 2}
0.98
Candidates → Complex detail MOL 3D Viewer
#214 11 Ru(2) — 91 candidates
GT: {"N": 7} Pred: {"N": 2}
0.98
Candidates → Complex detail MOL 3D Viewer
#217 [Ru(Hdpa)2(5,6-dmp)]2+ 2 Ru(2) — 43 candidates
GT: {"N": 8} Pred: {"N": 2}
0.98
Candidates → Complex detail MOL 3D Viewer
#219 [Ru(Hdpa)2(mdpq)]2+ 4 Ru(2) — 53 candidates
GT: {"N": 6} Pred: {"N": 2}
0.98
Candidates → Complex detail MOL 3D Viewer
#232 5 Ru(2) — 73 candidates
GT: {"N": 8} Pred: {"N": 2}
0.98
Candidates → Complex detail MOL 3D Viewer
#233 6 Ru(2) — 55 candidates
GT: {"N": 8} Pred: {"N": 2}
0.98
Candidates → Complex detail MOL 3D Viewer
#234 7 Ru(2) — 47 candidates
GT: {"N": 8} Pred: {"N": 2}
0.98
Candidates → Complex detail MOL 3D Viewer
#296 Ru3,1,6,D2P Ru(2) — 100 candidates
GT: {"N": 6} Pred: {"N": 2}
0.98
Candidates → Complex detail MOL 3D Viewer
#330 Rbtb Ru(2) — 114 candidates
GT: {"N": 6} Pred: {"N": 2}
0.98
Candidates → Complex detail MOL 3D Viewer
#332 RPC2,1Ph(2+),[Ru(dip)3]2+ ,1,D3 Ru(2) — 129 candidates
GT: {"N": 6} Pred: {"N": 2}
0.98
Candidates → Complex detail MOL 3D Viewer
#347 Ru(6) Ru(2) — 73 candidates
GT: {"O": 1, "P": 4} Pred: {"O": 1, "P": 4}
0.98
Candidates → Complex detail MOL 3D Viewer
#1547 [Ru(DMP)2(DA)Cl](ClO4) Ru(2) — 14 candidates
GT: {"N": 5} Pred: {"N": 2}
0.98
Candidates → Complex detail MOL 3D Viewer
#24 1 · Cl Ru(2) — 12 candidates
GT: {"N": 3, "P": 1} Pred: {"P": 1}
0.97
Candidates → Complex detail MOL 3D Viewer
#25 2 · Cl Ru(2) — 15 candidates
GT: {"N": 3, "P": 1} Pred: {"P": 1}
0.97
Candidates → Complex detail MOL 3D Viewer
#26 3 · Cl Ru(2) — 20 candidates
GT: {"N": 3, "P": 1} Pred: {"P": 1}
0.97
Candidates → Complex detail MOL 3D Viewer
#27 4 · Cl Ru(2) — 10 candidates
GT: {"N": 3, "P": 1} Pred: {"P": 1}
0.97
Candidates → Complex detail MOL 3D Viewer
#45 1,2 Ru(2) — 21 candidates
GT: {"N": 6} Pred: {"N": 1}
0.97
Candidates → Complex detail MOL 3D Viewer
#46 3 Ru(2) — 28 candidates
GT: {"N": 5, "P": 1} Pred: {"N": 1}
0.97
Candidates → Complex detail MOL 3D Viewer
#128 12 Ru(2) — 43 candidates
GT: {"O": 1} Pred: {"O": 2}
0.97
Candidates → Complex detail MOL 3D Viewer
#131 Ru1,Ru3 Ru(2) — 19 candidates
GT: {"N": 2} Pred: {"N": 2}
0.97
Candidates → Complex detail MOL 3D Viewer
#134 Ru4,Ru2 Ru(2) — 46 candidates
GT: {"N": 2} Pred: {"N": 2}
0.97
Candidates → Complex detail MOL 3D Viewer
#249 2 Ru(2) — 55 candidates
GT: {"N": 5, "P": 2} Pred: {"N": 1}
0.97
Candidates → Complex detail MOL 3D Viewer
#345 Ru(4) Ru(2) — 80 candidates
GT: {"O": 1, "P": 4} Pred: {"O": 1, "P": 4}
0.97
Candidates → Complex detail MOL 3D Viewer
#346 Ru(5) Ru(2) — 73 candidates
GT: {"N": 1, "O": 1, "P": 4} Pred: {"O": 1, "P": 4}
0.97
Candidates → Complex detail MOL 3D Viewer
#1551 4,2 Ru(2) — 51 candidates
GT: {"N": 2} Pred: {"O": 1, "N": 1}
0.97
Candidates → Complex detail MOL 3D Viewer
#113 4 Ru(2) — 20 candidates
GT: {"O": 1, "N": 2} Pred: {"N": 1, "O": 1}
0.96
Candidates → Complex detail MOL 3D Viewer
#117 8 Ru(2) — 24 candidates
GT: {"O": 1, "N": 2} Pred: {"N": 1, "O": 1}
0.96
Candidates → Complex detail MOL 3D Viewer
#154 Ru-1,1,4 Ru(2) — 3 candidates
GT: {"N": 5} Pred: {"N": 2}
0.96
Candidates → Complex detail MOL 3D Viewer
#246 Ru1 Ru(2) — 173 candidates
GT: {"N": 6} Pred: {"N": 2}
0.96
Candidates → Complex detail MOL 3D Viewer
#247 Ru2 Ru(2) — 121 candidates
GT: {"N": 6} Pred: {"N": 2}
0.96
Candidates → Complex detail MOL 3D Viewer
«‹ 12345678 ›» 3/8 (363 total)