homecomplexesD-MPNN

D-MPNN Donor Prediction

Sequential multi-lig (7058) — 7058 complexes
rdmetallics.net (363)Sequential multi-lig (7058)Single-ligand (939)⇄ Compare
87
Exact (1.0)
2026
Partial (>0)
4945
No match
0.159
Mean score
Reset
#1612 6 Ru(2) — 3 candidates
GT: {"S": 2, "O": 2, "N": 2} Pred: {"O": 4, "S": 2, "N": 1}
0.62
Candidates → Complex detail MOL 3D Viewer
#1848 2 Ru(2) — 2 candidates
GT: {"N": 5} Pred: {"N": 8}
0.62
Candidates → Complex detail MOL 3D Viewer
#2006 Ru2,Ru1,1a Ru(2) — 2 candidates
GT: {"N": 5} Pred: {"N": 8}
0.62
Candidates → Complex detail MOL 3D Viewer
#2376 [RuCl(en)([9]aneS3)][OTf] (6),4,1 Ru(2) — 2 candidates
GT: {"S": 3, "N": 2} Pred: {"S": 6, "N": 2}
0.62
Candidates → Complex detail MOL 3D Viewer
#2709 3a Ru(2) — 2 candidates
GT: {"N": 3, "P": 2} Pred: {"N": 6, "P": 2}
0.62
Candidates → Complex detail MOL 3D Viewer
#2710 3b Ru(2) — 2 candidates
GT: {"N": 3, "P": 2} Pred: {"N": 6, "P": 2}
0.62
Candidates → Complex detail MOL 3D Viewer
#2711 3c Ru(2) — 2 candidates
GT: {"N": 3, "P": 2} Pred: {"N": 6, "P": 2}
0.62
Candidates → Complex detail MOL 3D Viewer
#2712 3d Ru(2) — 2 candidates
GT: {"N": 3, "P": 2} Pred: {"N": 6, "P": 2}
0.62
Candidates → Complex detail MOL 3D Viewer
#2973 Ru-Se Ru(2) — 2 candidates
GT: {"N": 8} Pred: {"N": 5}
0.62
Candidates → Complex detail MOL 3D Viewer
#3025 5 Ru(2) — 2 candidates
GT: {"S": 3, "N": 2} Pred: {"S": 6, "N": 2}
0.62
Candidates → Complex detail MOL 3D Viewer
#3081 RuL1-pic Ru(3) — 2 candidates
GT: {"N": 4, "O": 1} Pred: {"N": 7, "O": 1}
0.62
Candidates → Complex detail MOL 3D Viewer
#3707 3b Ru(2) — 2 candidates
GT: {"N": 8} Pred: {"N": 5}
0.62
Candidates → Complex detail MOL 3D Viewer
#3709 4b Ru(2) — 2 candidates
GT: {"N": 8} Pred: {"N": 5}
0.62
Candidates → Complex detail MOL 3D Viewer
#3867 Ru1 Ru(2) — 3 candidates
GT: {"S": 2, "O": 2, "N": 2} Pred: {"O": 4, "S": 2, "N": 1}
0.62
Candidates → Complex detail MOL 3D Viewer
#3933 2 Ru(2) — 3 candidates
GT: {"S": 1, "O": 1, "N": 3} Pred: {"O": 3, "S": 2, "N": 3}
0.62
Candidates → Complex detail MOL 3D Viewer
#3934 3 Ru(2) — 2 candidates
GT: {"P": 2, "N": 6} Pred: {"P": 2, "N": 3}
0.62
Candidates → Complex detail MOL 3D Viewer
#3935 4 Ru(2) — 2 candidates
GT: {"P": 2, "N": 6} Pred: {"P": 2, "N": 3}
0.62
Candidates → Complex detail MOL 3D Viewer
#4014 1 Ru(2) — 3 candidates
GT: {"O": 1, "N": 1, "P": 4} Pred: {"O": 3, "P": 4}
0.62
Candidates → Complex detail MOL 3D Viewer
#4112 [Ru(phen)2(hbtz)][PF6] (4) Ru(2) — 3 candidates
GT: {"O": 1, "N": 5} Pred: {"O": 3, "N": 4}
0.62
Candidates → Complex detail MOL 3D Viewer
#4280 2 Ru(2) — 2 candidates
GT: {"S": 3, "N": 2} Pred: {"S": 6, "N": 2}
0.62
Candidates → Complex detail MOL 3D Viewer
#4282 5 Ru(2) — 2 candidates
GT: {"S": 3, "N": 2} Pred: {"S": 6, "N": 2}
0.62
Candidates → Complex detail MOL 3D Viewer
#4283 9 Ru(2) — 2 candidates
GT: {"S": 3, "N": 2} Pred: {"S": 6, "N": 2}
0.62
Candidates → Complex detail MOL 3D Viewer
#4403 8e Ru(2) — 2 candidates
GT: {"N": 5} Pred: {"N": 8}
0.62
Candidates → Complex detail MOL 3D Viewer
#4407 10b Ru(2) — 2 candidates
GT: {"N": 5} Pred: {"N": 8}
0.62
Candidates → Complex detail MOL 3D Viewer
#6137 Re7 Re(1) — 2 candidates
GT: {"N": 5, "O": 3} Pred: {"N": 5}
0.62
Candidates → Complex detail MOL 3D Viewer
#6178 1 Re(1) — 2 candidates
GT: {"N": 5, "O": 3} Pred: {"N": 5}
0.62
Candidates → Complex detail MOL 3D Viewer
#6248 4-Et-NH2 Re(1) — 2 candidates
GT: {"N": 5, "O": 3} Pred: {"N": 5}
0.62
Candidates → Complex detail MOL 3D Viewer
#6358 2a Re(2) — 2 candidates
GT: {"N": 5, "O": 3} Pred: {"N": 5}
0.62
Candidates → Complex detail MOL 3D Viewer
#6925 2,5 Rh(3) — 2 candidates
GT: {"S": 3, "N": 2} Pred: {"S": 6, "N": 2}
0.62
Candidates → Complex detail MOL 3D Viewer
#6927 4,6 Rh(3) — 2 candidates
GT: {"S": 3, "N": 2} Pred: {"S": 6, "N": 2}
0.62
Candidates → Complex detail MOL 3D Viewer
#6990 1 Rh(3) — 2 candidates
GT: {"S": 3, "N": 2} Pred: {"S": 6, "N": 2}
0.62
Candidates → Complex detail MOL 3D Viewer
#6992 3 Rh(3) — 2 candidates
GT: {"S": 3, "N": 2} Pred: {"S": 6, "N": 2}
0.62
Candidates → Complex detail MOL 3D Viewer
#6993 4 Rh(3) — 2 candidates
GT: {"S": 3, "N": 2} Pred: {"S": 6, "N": 2}
0.62
Candidates → Complex detail MOL 3D Viewer
#137 2 Ru(2) — 4 candidates
GT: {"N": 8} Pred: {"N": 13}
0.62
Candidates → Complex detail MOL 3D Viewer
#146 Ru(II)-2 Ru(2) — 3 candidates
GT: {"N": 8} Pred: {"N": 13}
0.62
Candidates → Complex detail MOL 3D Viewer
#221 [Ru(bpy)2(dppz)]2+,CC-8,4,1,[Ru (bpy)2(dppz)]2+,Ru(bpy)2DPPZ Ru(2) — 3 candidates
GT: {"N": 8} Pred: {"N": 13}
0.62
Candidates → Complex detail MOL 3D Viewer
#228 1,Ru0,2a Ru(2) — 3 candidates
GT: {"N": 8} Pred: {"N": 13}
0.62
Candidates → Complex detail MOL 3D Viewer
#235 Ru1,RubpyImH Ru(2) — 4 candidates
GT: {"N": 8} Pred: {"N": 13}
0.62
Candidates → Complex detail MOL 3D Viewer
#250 2 Ru(2) — 3 candidates
GT: {"N": 8} Pred: {"N": 13}
0.62
Candidates → Complex detail MOL 3D Viewer
#557 Ru4 Ru(2) — 3 candidates
GT: {"N": 8} Pred: {"N": 13}
0.62
Candidates → Complex detail MOL 3D Viewer
#1089 1 Ru(2) — 3 candidates
GT: {"N": 8} Pred: {"N": 13}
0.62
Candidates → Complex detail MOL 3D Viewer
#1092 4 Ru(2) — 3 candidates
GT: {"N": 8} Pred: {"N": 13}
0.62
Candidates → Complex detail MOL 3D Viewer
#1093 1 Ru(2) — 3 candidates
GT: {"N": 8} Pred: {"N": 13}
0.62
Candidates → Complex detail MOL 3D Viewer
#1094 2 Ru(2) — 3 candidates
GT: {"N": 8} Pred: {"N": 13}
0.62
Candidates → Complex detail MOL 3D Viewer
#1095 3 Ru(2) — 3 candidates
GT: {"N": 8} Pred: {"N": 13}
0.62
Candidates → Complex detail MOL 3D Viewer
#1096 4 Ru(2) — 3 candidates
GT: {"N": 8} Pred: {"N": 13}
0.62
Candidates → Complex detail MOL 3D Viewer
#1097 5 Ru(2) — 3 candidates
GT: {"N": 8} Pred: {"N": 13}
0.62
Candidates → Complex detail MOL 3D Viewer
#1098 6 Ru(2) — 3 candidates
GT: {"N": 8} Pred: {"N": 13}
0.62
Candidates → Complex detail MOL 3D Viewer
#1292 2 Ru(2) — 3 candidates
GT: {"N": 8} Pred: {"N": 13}
0.62
Candidates → Complex detail MOL 3D Viewer
#1421 3 Ru(2) — 3 candidates
GT: {"N": 8} Pred: {"N": 13}
0.62
Candidates → Complex detail MOL 3D Viewer
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