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
#2972 Ru2 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 12}
0.00
Candidates → Complex detail MOL 3D Viewer
#2979 7a Ru(2) — 2 candidates
GT: {"N": 5} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#2980 2a Ru(2) — 2 candidates
GT: {"N": 1} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#2981 2b Ru(2) — 2 candidates
GT: {"N": 1} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#2982 2c Ru(2) — 2 candidates
GT: {"N": 1} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#2983 2d Ru(2) — 2 candidates
GT: {"N": 1} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#2984 2e Ru(2) — 2 candidates
GT: {"N": 1} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#2985 1 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#2986 2 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#2987 3 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#2995 Ru1 Ru(2) — 5 candidates
GT: {"N": 6} Pred: {"N": 15}
0.00
Candidates → Complex detail MOL 3D Viewer
#2996 Ru2 Ru(2) — 4 candidates
GT: {"N": 6} Pred: {"N": 11}
0.00
Candidates → Complex detail MOL 3D Viewer
#2997 Ru3 Ru(2) — 4 candidates
GT: {"N": 6} Pred: {"N": 12}
0.00
Candidates → Complex detail MOL 3D Viewer
#2998 Ru4 Ru(2) — 4 candidates
GT: {"N": 6} Pred: {"N": 11}
0.00
Candidates → Complex detail MOL 3D Viewer
#3001 P1 Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"S": 2, "N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#3002 P2 Ru(2) — 2 candidates
GT: {"S": 1, "N": 3} Pred: {"S": 2, "N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#3003 RuL Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#3008 5 Ru(2) — 4 candidates
GT: {"N": 7} Pred: {"N": 11}
0.00
Candidates → Complex detail MOL 3D Viewer
#3010 RuL Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#3014 Ru1 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#3015 Ru2 Ru(2) — 3 candidates
GT: {"N": 7} Pred: {"N": 9}
0.00
Candidates → Complex detail MOL 3D Viewer
#3016 Ru3 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 12}
0.00
Candidates → Complex detail MOL 3D Viewer
#3017 Ru4 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 13}
0.00
Candidates → Complex detail MOL 3D Viewer
#3018 1 Ru(2) — 3 candidates
GT: {"N": 1, "O": 1, "P": 4} Pred: {"O": 3, "N": 3, "P": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#3020 1,3 Ru(2) — 3 candidates
GT: {"N": 4, "S": 1, "P": 2} Pred: {"N": 7, "S": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#3021 2 Ru(2) — 3 candidates
GT: {"N": 4, "S": 1, "P": 2} Pred: {"N": 7, "S": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#3029 5 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 10}
0.00
Candidates → Complex detail MOL 3D Viewer
#3030 6 Ru(2) — 3 candidates
GT: {"N": 7} Pred: {"N": 10}
0.00
Candidates → Complex detail MOL 3D Viewer
#3035 11 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 10}
0.00
Candidates → Complex detail MOL 3D Viewer
#3038 B4 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"S": 2, "O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#3039 B5 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"S": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#3040 4 Ru(2) — 3 candidates
GT: {"P": 1, "O": 2} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#3045 3 a Ru(2) — 3 candidates
GT: {"N": 8} Pred: {"N": 7}
0.00
Candidates → Complex detail MOL 3D Viewer
#3047 1 Ru(2) — 3 candidates
GT: {"N": 2, "P": 1} Pred: {"S": 2, "P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#3048 1a Ru(2) — 3 candidates
GT: {"N": 2, "P": 1} Pred: {"S": 2, "N": 2, "P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#3049 2 Ru(2) — 3 candidates
GT: {"N": 2, "P": 1} Pred: {"S": 2, "P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#3050 3 Ru(2) — 3 candidates
GT: {"N": 2, "P": 1} Pred: {"S": 2, "P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#3051 4 Ru(2) — 3 candidates
GT: {"N": 2, "P": 1} Pred: {"S": 2, "P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#3052 4a Ru(2) — 3 candidates
GT: {"N": 2, "P": 1} Pred: {"S": 2, "N": 2, "P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#3053 5 Ru(2) — 3 candidates
GT: {"N": 2, "P": 1} Pred: {"S": 2, "P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#3058 5 Ru(2) — 4 candidates
GT: {"O": 1, "N": 2, "P": 2} Pred: {"O": 8, "P": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#3066 1 Ru(2) — 2 candidates
GT: {"N": 5} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#3067 2 Ru(2) — 2 candidates
GT: {"N": 5} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#3068 H1 Ru(2) — 2 candidates
GT: {"N": 1} Pred: {"S": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#3069 H2 Ru(2) — 2 candidates
GT: {"N": 1} Pred: {"S": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#3070 H3 Ru(2) — 2 candidates
GT: {"N": 1} Pred: {"S": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#3071 H4 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"S": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#3072 H5 Ru(2) — 2 candidates
GT: {"N": 1} Pred: {"S": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#3073 H6 Ru(2) — 2 candidates
GT: {"N": 1} Pred: {"S": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#3074 H7 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"S": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
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