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
#3167 4b Ru(2) — 2 candidates
GT: {"O": 1, "N": 4} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#3172 1 Ru(2) — 5 candidates
GT: {"N": 8} Pred: {"N": 10}
0.00
Candidates → Complex detail MOL 3D Viewer
#3173 2 Ru(2) — 5 candidates
GT: {"N": 8} Pred: {"N": 10}
0.00
Candidates → Complex detail MOL 3D Viewer
#3183 1 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#3184 2 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#3185 3 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#3187 5 Ru(2) — 2 candidates
GT: {"O": 1, "N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#3188 6 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#3189 7 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"O": 2, "N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#3190 8 Ru(2) — 2 candidates
GT: {"N": 3} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#3194 3b Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#3195 3d Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#3196 3e Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#3197 3f Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#3198 3g Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#3199 3h Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#3200 3i Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#3201 3j Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#3202 3m Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#3203 3o Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#3204 3p Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#3205 3q Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#3206 3r Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#3207 3s Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#3208 3t Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#3209 3u Ru(2) — 2 candidates
GT: {"O": 2} Pred: {"O": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#3213 1 (Cl) Ru(2) — 2 candidates
GT: {"O": 1, "N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#3214 2 (Br) Ru(2) — 2 candidates
GT: {"O": 1, "N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#3215 3 (I) Ru(2) — 2 candidates
GT: {"O": 1, "N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#3218 C1 Ru(2) — 3 candidates
GT: {"N": 8} Pred: {"N": 5, "S": 5}
0.00
Candidates → Complex detail MOL 3D Viewer
#3219 C2 Ru(2) — 2 candidates
GT: {"N": 4} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#3220 C3 Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"S": 2, "N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#3221 C4 Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 2, "S": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#3222 C5 Ru(2) — 2 candidates
GT: {"N": 4} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#3223 C6 Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 2, "S": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#3224 C7 Ru(2) — 2 candidates
GT: {"N": 4} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#3225 Ru-Poma Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 5}
0.00
Candidates → Complex detail MOL 3D Viewer
#3226 RuL1 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 9}
0.00
Candidates → Complex detail MOL 3D Viewer
#3228 RuL3 Ru(2) — 3 candidates
GT: {"N": 8} Pred: {"N": 7}
0.00
Candidates → Complex detail MOL 3D Viewer
#3229 K2[RuNOCl5] Ru(2) — 0 candidates
GT: {"N": 1} Pred: {}
0.00
Candidates → Complex detail MOL 3D Viewer
#3230 Na2[RuNO(NO2)4OH] Ru(2) — 0 candidates
GT: {"N": 3, "O": 2} Pred: {}
0.00
Candidates → Complex detail MOL 3D Viewer
#3231 2 Ru(2) — 2 candidates
GT: {"N": 2, "O": 1} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#3232 5 Ru(2) — 2 candidates
GT: {"N": 2, "O": 1} Pred: {"O": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#3233 7 Ru(2) — 2 candidates
GT: {"N": 2, "O": 1} Pred: {"O": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#3234 3 Ru(2) — 2 candidates
GT: {"N": 2, "O": 1} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#3235 1 Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 2, "S": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#3236 Ru(II) complex 1 Ru(2) — 2 candidates
GT: {"N": 6} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#3238 Ru1 Ru(2) — 2 candidates
GT: {"N": 5} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#3239 Ru2 Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#3248 6 Ru(2) — 3 candidates
GT: {"N": 7} Pred: {"N": 10}
0.00
Candidates → Complex detail MOL 3D Viewer
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