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
#4 1b Ru(2) — 30 candidates
GT: {"N": 4, "P": 1} Pred: {"P": 2, "N": 3}
0.99
Candidates → Complex detail MOL 3D Viewer
#5 1c Ru(2) — 23 candidates
GT: {"N": 4, "P": 1} Pred: {"P": 1}
0.99
Candidates → Complex detail MOL 3D Viewer
#11 3 Ru(2) — 30 candidates
GT: {"N": 4, "P": 1} Pred: {"P": 2, "N": 3}
0.99
Candidates → Complex detail MOL 3D Viewer
#13 5,5' Ru(2) — 30 candidates
GT: {"N": 5, "P": 1} Pred: {"P": 2, "N": 3}
0.99
Candidates → Complex detail MOL 3D Viewer
#28 RAPTA-C,RAPTA-C,1,5,10 Ru(2) — 9 candidates
GT: {"N": 3, "P": 1} Pred: {"P": 1}
0.99
Candidates → Complex detail MOL 3D Viewer
#30 RAPTA-T,3,4 Ru(2) — 17 candidates
GT: {"N": 3, "P": 1} Pred: {"P": 1}
0.99
Candidates → Complex detail MOL 3D Viewer
#32 RAPTA-B,5 Ru(2) — 12 candidates
GT: {"N": 3, "P": 1} Pred: {"P": 1}
0.99
Candidates → Complex detail MOL 3D Viewer
#33 RAPTA-BC,6 Ru(2) — 21 candidates
GT: {"N": 2, "P": 1, "O": 3} Pred: {"P": 1}
0.99
Candidates → Complex detail MOL 3D Viewer
#34 RAPTA-BI,7 Ru(2) — 5 candidates
GT: {"N": 4, "P": 1} Pred: {"P": 1}
0.99
Candidates → Complex detail MOL 3D Viewer
#35 RAPTA-CO2Et,8 Ru(2) — 19 candidates
GT: {"N": 3, "P": 1, "O": 2} Pred: {"P": 1}
0.99
Candidates → Complex detail MOL 3D Viewer
#36 RAPTA-H,9 Ru(2) — 7 candidates
GT: {"N": 3, "P": 1} Pred: {"P": 1}
0.99
Candidates → Complex detail MOL 3D Viewer
#53 1b Ru(2) — 20 candidates
GT: {"O": 4, "S": 2} Pred: {"O": 4, "S": 1}
0.99
Candidates → Complex detail MOL 3D Viewer
#54 2b Ru(2) — 20 candidates
GT: {"O": 4, "S": 2} Pred: {"O": 4, "S": 2}
0.99
Candidates → Complex detail MOL 3D Viewer
#55 1c Ru(2) — 20 candidates
GT: {"S": 2, "O": 4} Pred: {"S": 2, "O": 4}
0.99
Candidates → Complex detail MOL 3D Viewer
#56 2c Ru(2) — 20 candidates
GT: {"S": 2, "O": 4} Pred: {"O": 4, "S": 2}
0.99
Candidates → Complex detail MOL 3D Viewer
#58 1 Ru(2) — 62 candidates
GT: {"S": 2, "O": 2, "N": 3} Pred: {"N": 2}
0.99
Candidates → Complex detail MOL 3D Viewer
#78 Ru5 Ru(2) — 95 candidates
GT: {"N": 6} Pred: {"N": 2}
0.99
Candidates → Complex detail MOL 3D Viewer
#87 2 Ru(2) — 25 candidates
GT: {"N": 7, "P": 1} Pred: {"P": 1}
0.99
Candidates → Complex detail MOL 3D Viewer
#89 4 Ru(2) — 41 candidates
GT: {"P": 1, "N": 5} Pred: {"P": 1}
0.99
Candidates → Complex detail MOL 3D Viewer
#90 5 Ru(2) — 27 candidates
GT: {"P": 1, "N": 5} Pred: {"P": 1}
0.99
Candidates → Complex detail MOL 3D Viewer
#91 6 Ru(2) — 32 candidates
GT: {"N": 7, "P": 1} Pred: {"N": 1}
0.99
Candidates → Complex detail MOL 3D Viewer
#93 8 Ru(2) — 25 candidates
GT: {"N": 7, "P": 1} Pred: {"P": 1}
0.99
Candidates → Complex detail MOL 3D Viewer
#138 3,2,C1 [Ru(bpy)₂(dmbpy)]Cl₂,S2-bpy Ru(2) — 51 candidates
GT: {"N": 6} Pred: {"N": 2}
0.99
Candidates → Complex detail MOL 3D Viewer
#155 Ru-2 Ru(2) — 30 candidates
GT: {"N": 5} Pred: {"N": 5}
0.99
Candidates → Complex detail MOL 3D Viewer
#170 4a Ru(2) — 43 candidates
GT: {"N": 3} Pred: {"N": 2}
0.99
Candidates → Complex detail MOL 3D Viewer
#172 4c Ru(2) — 21 candidates
GT: {"N": 3} Pred: {"N": 2}
0.99
Candidates → Complex detail MOL 3D Viewer
#173 4d Ru(2) — 29 candidates
GT: {"N": 3} Pred: {"N": 2}
0.99
Candidates → Complex detail MOL 3D Viewer
#182 4m Ru(2) — 29 candidates
GT: {"N": 3, "O": 1} Pred: {"N": 2}
0.99
Candidates → Complex detail MOL 3D Viewer
#183 4n Ru(2) — 25 candidates
GT: {"N": 3} Pred: {"N": 2}
0.99
Candidates → Complex detail MOL 3D Viewer
#201 4 Ru(3) — 163 candidates
GT: {"O": 2, "N": 2, "P": 1} Pred: {"N": 1, "O": 1}
0.99
Candidates → Complex detail MOL 3D Viewer
#206 3 Ru(2) — 82 candidates
GT: {"N": 7} Pred: {"N": 2}
0.99
Candidates → Complex detail MOL 3D Viewer
#208 5 Ru(2) — 83 candidates
GT: {"N": 7} Pred: {"N": 2}
0.99
Candidates → Complex detail MOL 3D Viewer
#210 7 Ru(2) — 88 candidates
GT: {"N": 7} Pred: {"N": 2}
0.99
Candidates → Complex detail MOL 3D Viewer
#212 9 Ru(2) — 93 candidates
GT: {"N": 7} Pred: {"N": 2}
0.99
Candidates → Complex detail MOL 3D Viewer
#213 10 Ru(2) — 145 candidates
GT: {"N": 7} Pred: {"N": 2}
0.99
Candidates → Complex detail MOL 3D Viewer
#215 12 Ru(2) — 149 candidates
GT: {"N": 7} Pred: {"N": 2}
0.99
Candidates → Complex detail MOL 3D Viewer
#248 Ru3,3,1 Ru(2) — 96 candidates
GT: {"N": 6} Pred: {"N": 2}
0.99
Candidates → Complex detail MOL 3D Viewer
#259 1,Ru2 Ru(2) — 123 candidates
GT: {"N": 6} Pred: {"N": 2}
0.99
Candidates → Complex detail MOL 3D Viewer
#260 2 Ru(2) — 63 candidates
GT: {"N": 6} Pred: {"N": 2}
0.99
Candidates → Complex detail MOL 3D Viewer
#261 3 Ru(2) — 63 candidates
GT: {"N": 6} Pred: {"N": 2}
0.99
Candidates → Complex detail MOL 3D Viewer
#262 4 Ru(2) — 63 candidates
GT: {"N": 6} Pred: {"N": 2}
0.99
Candidates → Complex detail MOL 3D Viewer
#263 5 Ru(2) — 63 candidates
GT: {"N": 6} Pred: {"N": 2}
0.99
Candidates → Complex detail MOL 3D Viewer
#270 2[NO3] Ru(2) — 8 candidates
GT: {"N": 2} Pred: {"N": 2}
0.99
Candidates → Complex detail MOL 3D Viewer
#272 5[NO3] Ru(2) — 17 candidates
GT: {"N": 2} Pred: {"N": 2}
0.99
Candidates → Complex detail MOL 3D Viewer
#294 Ru1 Ru(2) — 230 candidates
GT: {"N": 6} Pred: {"N": 2}
0.99
Candidates → Complex detail MOL 3D Viewer
#295 Ru2 Ru(2) — 172 candidates
GT: {"N": 6} Pred: {"N": 2}
0.99
Candidates → Complex detail MOL 3D Viewer
#302 1 Ru(2) — 66 candidates
GT: {"N": 3, "S": 1, "P": 2} Pred: {"N": 2, "S": 1}
0.99
Candidates → Complex detail MOL 3D Viewer
#303 2 Ru(2) — 58 candidates
GT: {"N": 3, "S": 1, "P": 2} Pred: {"N": 2, "S": 1, "P": 2}
0.99
Candidates → Complex detail MOL 3D Viewer
#304 3 Ru(2) — 57 candidates
GT: {"N": 3, "S": 1, "P": 2} Pred: {"N": 2, "S": 1, "P": 2}
0.99
Candidates → Complex detail MOL 3D Viewer
#967 [Ru(bpy)2L]Cl2 Ru(2) — 12 candidates
GT: {"N": 6} Pred: {"N": 2}
0.99
Candidates → Complex detail MOL 3D Viewer
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