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
#3075 H8 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"S": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#3076 H9 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"S": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#3077 H10 Ru(2) — 2 candidates
GT: {"O": 1, "N": 2} Pred: {"S": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#3078 2a Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#3079 3a Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#3080 2b Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#3085 RuL1-azpy Ru(2) — 2 candidates
GT: {"N": 6} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#3088 7,3b Ru(2) — 2 candidates
GT: {"N": 6} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#3089 8 Ru(2) — 2 candidates
GT: {"N": 6} Pred: {"N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#3090 9 Ru(2) — 2 candidates
GT: {"N": 6} Pred: {"N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#3091 10 Ru(2) — 2 candidates
GT: {"N": 6} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#3092 1 Ru(2) — 2 candidates
GT: {"N": 5} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#3093 2 Ru(2) — 2 candidates
GT: {"N": 5} Pred: {"N": 2, "O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#3094 3 Ru(2) — 2 candidates
GT: {"N": 5} Pred: {"O": 1, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#3096 Ru.2Nap Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 13}
0.00
Candidates → Complex detail MOL 3D Viewer
#3099 I Ru(3) — 3 candidates
GT: {"N": 5, "O": 1} Pred: {"O": 3, "N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#3106 mer-[Ru(NO)Py2Cl3],1,3 Ru(2) — 0 candidates
GT: {"N": 3} Pred: {}
0.00
Candidates → Complex detail MOL 3D Viewer
#3108 4,5 Ru(2) — 0 candidates
GT: {"N": 3} Pred: {}
0.00
Candidates → Complex detail MOL 3D Viewer
#3109 6 Ru(2) — 0 candidates
GT: {"N": 5} Pred: {}
0.00
Candidates → Complex detail MOL 3D Viewer
#3110 7 Ru(2) — 0 candidates
GT: {"N": 5} Pred: {}
0.00
Candidates → Complex detail MOL 3D Viewer
#3111 [1a] Ru(2) — 2 candidates
GT: {"O": 1, "N": 2} Pred: {"O": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#3112 [1b] Ru(2) — 2 candidates
GT: {"O": 1, "N": 2} Pred: {"N": 2, "O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#3113 [2a] Ru(2) — 2 candidates
GT: {"O": 1, "N": 1} Pred: {"O": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#3114 [2b] Ru(2) — 2 candidates
GT: {"O": 1, "N": 1} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#3115 [3a] Ru(2) — 3 candidates
GT: {"N": 2, "O": 1} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#3117 C3 [Ru(dpphen)₂(dmbpy)]Cl₂ Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#3119 1 Ru(2) — 2 candidates
GT: {"O": 1, "N": 1} Pred: {"O": 1, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#3120 2 Ru(2) — 2 candidates
GT: {"N": 1, "O": 1} Pred: {"N": 2, "O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#3121 Complex 1 Ru(2) — 2 candidates
GT: {"O": 1, "N": 2} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#3122 Complex 2 Ru(2) — 2 candidates
GT: {"O": 1, "N": 2} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#3123 Complex 3 Ru(2) — 2 candidates
GT: {"O": 1, "N": 2} Pred: {"O": 2, "N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#3124 Complex 4 Ru(2) — 2 candidates
GT: {"O": 1, "N": 2} Pred: {"O": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#3125 Complex 5 Ru(2) — 2 candidates
GT: {"O": 1, "N": 2} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#3126 Complex 6 Ru(2) — 2 candidates
GT: {"O": 1, "N": 2} Pred: {"O": 1, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#3131 [Ru(η6-p-cymene)(bien)Cl]+ 1 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#3132 [Ru(η6-p-cymene)(bpen)Cl]+ 2 Ru(2) — 2 candidates
GT: {"N": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#3133 RuIQ-1 Ru(2) — 3 candidates
GT: {"N": 5} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#3134 RuIQ-2 Ru(2) — 3 candidates
GT: {"N": 5} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#3135 Ru3 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 10}
0.00
Candidates → Complex detail MOL 3D Viewer
#3140 1 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 7}
0.00
Candidates → Complex detail MOL 3D Viewer
#3141 2 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#3142 3 Ru(2) — 3 candidates
GT: {"N": 5} Pred: {"N": 5}
0.00
Candidates → Complex detail MOL 3D Viewer
#3143 5 Ru(2) — 3 candidates
GT: {"N": 5} Pred: {"N": 7}
0.00
Candidates → Complex detail MOL 3D Viewer
#3144 6 Ru(2) — 3 candidates
GT: {"O": 1, "N": 5} Pred: {"N": 5}
0.00
Candidates → Complex detail MOL 3D Viewer
#3149 Ru3 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 8}
0.00
Candidates → Complex detail MOL 3D Viewer
#3154 Complex 2 Ru(2) — 2 candidates
GT: {"N": 4, "As": 1} Pred: {"N": 8}
0.00
Candidates → Complex detail MOL 3D Viewer
#3163 Ru3 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 10}
0.00
Candidates → Complex detail MOL 3D Viewer
#3164 1b,3 Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#3165 2b Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#3166 3b Ru(2) — 2 candidates
GT: {"O": 1, "N": 4} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
«‹ 77787980818283848586 ›» 82/142 (7058 total)