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
#3364 4 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 13}
0.46
Candidates → Complex detail MOL 3D Viewer
#3495 6 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 13}
0.46
Candidates → Complex detail MOL 3D Viewer
#3666 1 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 13}
0.46
Candidates → Complex detail MOL 3D Viewer
#3776 1 Ru(2) — 3 candidates
GT: {"N": 7} Pred: {"O": 6, "N": 6}
0.46
Candidates → Complex detail MOL 3D Viewer
#3777 2 Ru(2) — 3 candidates
GT: {"N": 7} Pred: {"O": 6, "N": 6}
0.46
Candidates → Complex detail MOL 3D Viewer
#3855 Ru1 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 13}
0.46
Candidates → Complex detail MOL 3D Viewer
#3945 2 Ru(2) — 3 candidates
GT: {"S": 4, "O": 2} Pred: {"S": 11, "O": 2}
0.46
Candidates → Complex detail MOL 3D Viewer
#4044 RuIP1 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 13}
0.46
Candidates → Complex detail MOL 3D Viewer
#4160 4 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 13}
0.46
Candidates → Complex detail MOL 3D Viewer
#4284 15 Ru(2) — 3 candidates
GT: {"S": 3, "N": 4} Pred: {"S": 9, "N": 3}
0.46
Candidates → Complex detail MOL 3D Viewer
#4477 Ru-1 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 13}
0.46
Candidates → Complex detail MOL 3D Viewer
#4617 Ru1 Ru(2) — 3 candidates
GT: {"S": 1, "N": 3, "P": 2} Pred: {"N": 7, "S": 3, "P": 2, "O": 1}
0.46
Candidates → Complex detail MOL 3D Viewer
#84 [Ru(DIP)2(chr)](OTf) Ru(2) — 3 candidates
GT: {"O": 1, "N": 4} Pred: {"O": 6, "N": 5}
0.45
Candidates → Complex detail MOL 3D Viewer
#86 1 Ru(2) — 3 candidates
GT: {"P": 2, "N": 6} Pred: {"P": 5, "N": 3}
0.45
Candidates → Complex detail MOL 3D Viewer
#92 7 Ru(2) — 3 candidates
GT: {"P": 2, "N": 6} Pred: {"P": 5, "N": 3}
0.45
Candidates → Complex detail MOL 3D Viewer
#94 9 Ru(2) — 3 candidates
GT: {"P": 2, "N": 6} Pred: {"O": 3, "P": 2, "N": 3}
0.45
Candidates → Complex detail MOL 3D Viewer
#723 1 Ru(2) — 3 candidates
GT: {"N": 4, "P": 1} Pred: {"N": 7, "O": 3, "P": 1}
0.45
Candidates → Complex detail MOL 3D Viewer
#772 (2) Ru(2) — 3 candidates
GT: {"N": 4, "P": 1} Pred: {"N": 10, "P": 1}
0.45
Candidates → Complex detail MOL 3D Viewer
#829 Complex 1 Ru(2) — 3 candidates
GT: {"N": 4, "O": 1} Pred: {"N": 10, "O": 1}
0.45
Candidates → Complex detail MOL 3D Viewer
#834 D2 Ru(2) — 3 candidates
GT: {"N": 3, "S": 2, "O": 2} Pred: {"N": 3, "S": 6}
0.45
Candidates → Complex detail MOL 3D Viewer
#884 Complex 4 Ru(2) — 3 candidates
GT: {"O": 1, "N": 3, "P": 4} Pred: {"O": 3, "P": 5}
0.45
Candidates → Complex detail MOL 3D Viewer
#1157 8 Ru(3) — 3 candidates
GT: {"N": 4, "O": 1} Pred: {"O": 5, "N": 6}
0.45
Candidates → Complex detail MOL 3D Viewer
#2762 4 Ru(2) — 3 candidates
GT: {"P": 2, "N": 6} Pred: {"P": 5, "N": 3}
0.45
Candidates → Complex detail MOL 3D Viewer
#2771 1,5 Ru(3) — 4 candidates
GT: {"O": 2, "N": 4} Pred: {"O": 7, "N": 3}
0.45
Candidates → Complex detail MOL 3D Viewer
#2772 2,6 Ru(3) — 4 candidates
GT: {"O": 2, "N": 4} Pred: {"O": 7, "N": 3}
0.45
Candidates → Complex detail MOL 3D Viewer
#2773 3 Ru(3) — 4 candidates
GT: {"O": 2, "N": 4} Pred: {"O": 7, "N": 3}
0.45
Candidates → Complex detail MOL 3D Viewer
#2774 4 Ru(3) — 4 candidates
GT: {"O": 2, "N": 4} Pred: {"O": 7, "N": 3}
0.45
Candidates → Complex detail MOL 3D Viewer
#3843 [Ru(dip)2(bpy-NitroIm)]2+ Ru(2) — 3 candidates
GT: {"N": 5, "O": 1} Pred: {"N": 10}
0.45
Candidates → Complex detail MOL 3D Viewer
#3864 3a Ru(2) — 3 candidates
GT: {"N": 4, "P": 1} Pred: {"N": 10, "P": 1}
0.45
Candidates → Complex detail MOL 3D Viewer
#3937 6 Ru(2) — 3 candidates
GT: {"P": 2, "N": 6} Pred: {"P": 5, "N": 3}
0.45
Candidates → Complex detail MOL 3D Viewer
#3995 RuZ3a Ru(3) — 3 candidates
GT: {"O": 2, "N": 2, "P": 1} Pred: {"O": 5, "N": 5, "P": 1}
0.45
Candidates → Complex detail MOL 3D Viewer
#6855 YNU-1a Rh(3) — 3 candidates
GT: {"O": 2, "N": 2, "P": 1} Pred: {"O": 5, "N": 5, "P": 1}
0.45
Candidates → Complex detail MOL 3D Viewer
#6856 YNU-1b Rh(3) — 3 candidates
GT: {"O": 2, "N": 2, "P": 1} Pred: {"N": 5, "O": 5, "P": 1}
0.45
Candidates → Complex detail MOL 3D Viewer
#6857 YNU-1c Rh(3) — 3 candidates
GT: {"O": 2, "N": 2, "P": 1} Pred: {"O": 5, "N": 5, "P": 1}
0.45
Candidates → Complex detail MOL 3D Viewer
#6858 YNU-1d Rh(3) — 3 candidates
GT: {"O": 2, "N": 2, "P": 1} Pred: {"O": 5, "N": 5, "P": 1}
0.45
Candidates → Complex detail MOL 3D Viewer
#6879 GUPT3 Rh(3) — 3 candidates
GT: {"O": 2, "N": 2, "P": 1} Pred: {"O": 5, "N": 5, "P": 1}
0.45
Candidates → Complex detail MOL 3D Viewer
#6880 GUPT4 Rh(3) — 3 candidates
GT: {"O": 2, "N": 2, "P": 1} Pred: {"O": 5, "N": 5, "P": 1}
0.45
Candidates → Complex detail MOL 3D Viewer
#4 1b Ru(2) — 3 candidates
GT: {"N": 4, "P": 1} Pred: {"P": 5, "N": 3}
0.44
Candidates → Complex detail MOL 3D Viewer
#5 1c Ru(2) — 3 candidates
GT: {"N": 4, "P": 1} Pred: {"P": 5, "N": 3}
0.44
Candidates → Complex detail MOL 3D Viewer
#6 1e Ru(2) — 3 candidates
GT: {"N": 4, "P": 1} Pred: {"P": 5, "N": 3}
0.44
Candidates → Complex detail MOL 3D Viewer
#8 2b Ru(2) — 3 candidates
GT: {"N": 4, "P": 1} Pred: {"P": 5, "N": 3}
0.44
Candidates → Complex detail MOL 3D Viewer
#9 2c Ru(2) — 3 candidates
GT: {"P": 1, "N": 4} Pred: {"P": 5, "N": 3}
0.44
Candidates → Complex detail MOL 3D Viewer
#10 2e Ru(2) — 3 candidates
GT: {"P": 1, "N": 4} Pred: {"P": 5, "N": 3}
0.44
Candidates → Complex detail MOL 3D Viewer
#11 3 Ru(2) — 3 candidates
GT: {"N": 4, "P": 1} Pred: {"P": 5, "N": 3}
0.44
Candidates → Complex detail MOL 3D Viewer
#12 4 Ru(2) — 3 candidates
GT: {"N": 4, "P": 1} Pred: {"P": 5, "N": 3}
0.44
Candidates → Complex detail MOL 3D Viewer
#33 RAPTA-BC,6 Ru(2) — 2 candidates
GT: {"N": 2, "P": 1, "O": 3} Pred: {"P": 2, "O": 5}
0.44
Candidates → Complex detail MOL 3D Viewer
#306 Ru(GAC) Ru(2) — 3 candidates
GT: {"O": 1, "N": 2, "P": 2} Pred: {"O": 3, "N": 4, "P": 1}
0.44
Candidates → Complex detail MOL 3D Viewer
#434 5 Ru(2) — 3 candidates
GT: {"O": 1, "N": 2, "P": 2} Pred: {"O": 3, "N": 4, "P": 1}
0.44
Candidates → Complex detail MOL 3D Viewer
#1201 Ru-complex Ru(2) — 3 candidates
GT: {"N": 8} Pred: {"N": 18}
0.44
Candidates → Complex detail MOL 3D Viewer
#1419 1 Ru(2) — 3 candidates
GT: {"N": 8} Pred: {"N": 18}
0.44
Candidates → Complex detail MOL 3D Viewer
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