D-MPNN Scoring — BiometalDB

rdmetallics.net (363)Sequential multi-lig (7058)Single-ligand (939)⇄ Compare

Exact (1.0)

2026

Partial (>0)

4945

No match

0.159

Mean score

#3022 3 Ru(2) — 2 candidates

GT: {"N": 2, "P": 2} Pred: {"N": 4, "P": 2}

0.67

Candidates → Complex detail MOL 3D Viewer

#3033 9 Ru(2) — 3 candidates

GT: {"N": 6} Pred: {"N": 9}

0.67

Candidates → Complex detail MOL 3D Viewer

#3043 1 a Ru(2) — 3 candidates

GT: {"N": 8} Pred: {"N": 12}

0.67

Candidates → Complex detail MOL 3D Viewer

#3065 7 Ru(2) — 3 candidates

GT: {"N": 8} Pred: {"N": 12}

0.67

Candidates → Complex detail MOL 3D Viewer

#3098 2 Ru(2) — 3 candidates

GT: {"N": 8} Pred: {"N": 12}

0.67

Candidates → Complex detail MOL 3D Viewer

#3129 3 Ru(2) — 3 candidates

GT: {"N": 8} Pred: {"N": 12}

0.67

Candidates → Complex detail MOL 3D Viewer

#3130 4 Ru(2) — 3 candidates

GT: {"N": 8} Pred: {"N": 12}

0.67

Candidates → Complex detail MOL 3D Viewer

#3136 Ru4 Ru(2) — 3 candidates

GT: {"N": 6} Pred: {"N": 9}

0.67

Candidates → Complex detail MOL 3D Viewer

#3145 1 Ru(2) — 3 candidates

GT: {"N": 8} Pred: {"N": 12}

0.67

Candidates → Complex detail MOL 3D Viewer

#3146 2 Ru(2) — 3 candidates

GT: {"N": 8} Pred: {"N": 12}

0.67

Candidates → Complex detail MOL 3D Viewer

#3147 3 Ru(2) — 3 candidates

GT: {"N": 8} Pred: {"N": 12}

0.67

Candidates → Complex detail MOL 3D Viewer

#3151 Ru-2 Ru(2) — 3 candidates

GT: {"N": 8} Pred: {"N": 12}

0.67

Candidates → Complex detail MOL 3D Viewer

#3175 Ru1 Ru(2) — 3 candidates

GT: {"N": 8} Pred: {"N": 12}

0.67

Candidates → Complex detail MOL 3D Viewer

#3181 4 Ru(2) — 3 candidates

GT: {"O": 1, "N": 5} Pred: {"O": 3, "N": 6}

0.67

Candidates → Complex detail MOL 3D Viewer

#3182 5 Ru(2) — 3 candidates

GT: {"O": 1, "N": 5} Pred: {"O": 3, "N": 6}

0.67

Candidates → Complex detail MOL 3D Viewer

#3227 RuL2 Ru(2) — 3 candidates

GT: {"N": 6} Pred: {"N": 9}

0.67

Candidates → Complex detail MOL 3D Viewer

#3241 Ru4 Ru(2) — 3 candidates

GT: {"N": 4, "P": 2} Pred: {"N": 6, "P": 3}

0.67

Candidates → Complex detail MOL 3D Viewer

#3245 2 Ru(2) — 3 candidates

GT: {"N": 8} Pred: {"N": 12}

0.67

Candidates → Complex detail MOL 3D Viewer

#3256 2 Ru(2) — 3 candidates

GT: {"N": 8} Pred: {"N": 12}

0.67

Candidates → Complex detail MOL 3D Viewer

#3261 Ru(II)-1 Ru(2) — 3 candidates

GT: {"N": 8} Pred: {"N": 12}

0.67

Candidates → Complex detail MOL 3D Viewer

#3262 Ru(II)-2 Ru(2) — 3 candidates

GT: {"N": 8} Pred: {"N": 12}

0.67

Candidates → Complex detail MOL 3D Viewer

#3359 1,1 a Ru(2) — 3 candidates

GT: {"N": 8} Pred: {"N": 12}

0.67

Candidates → Complex detail MOL 3D Viewer

#3360 2,2 a Ru(2) — 3 candidates

GT: {"N": 8} Pred: {"N": 12}

0.67

Candidates → Complex detail MOL 3D Viewer

#3368 1,RuCl2(DMSO)2(biim) (2a) Ru(2) — 3 candidates

GT: {"S": 2, "O": 2, "N": 4} Pred: {"O": 3, "S": 2, "N": 2}

0.67

Candidates → Complex detail MOL 3D Viewer

#3386 1 Ru(2) — 3 candidates

GT: {"N": 8} Pred: {"N": 12}

0.67

Candidates → Complex detail MOL 3D Viewer

#3387 2 Ru(2) — 3 candidates

GT: {"N": 8} Pred: {"N": 12}

0.67

Candidates → Complex detail MOL 3D Viewer

#3388 3 Ru(2) — 3 candidates

GT: {"N": 8} Pred: {"N": 12}

0.67

Candidates → Complex detail MOL 3D Viewer

#3389 4 Ru(2) — 3 candidates

GT: {"N": 8} Pred: {"N": 12}

0.67

Candidates → Complex detail MOL 3D Viewer

#3391 K2 Ru(2) — 3 candidates

GT: {"N": 6} Pred: {"N": 9}

0.67

Candidates → Complex detail MOL 3D Viewer

#3449 [Ru(pymS)₂(dppp)] (3) Ru(2) — 3 candidates

GT: {"S": 2, "N": 4, "P": 2} Pred: {"S": 5, "N": 5, "P": 2}

0.67

Candidates → Complex detail MOL 3D Viewer

#3492 3 Ru(2) — 3 candidates

GT: {"N": 6} Pred: {"N": 9}

0.67

Candidates → Complex detail MOL 3D Viewer

#3552 [Ru] Ru(2) — 2 candidates

GT: {"N": 6} Pred: {"N": 9}

0.67

Candidates → Complex detail MOL 3D Viewer

#3570 Na[RuCl4(CF3Py)2] (1b) Ru(3) — 2 candidates

GT: {"N": 2} Pred: {"N": 3}

0.67

Candidates → Complex detail MOL 3D Viewer

#3590 [Ru (3,4,7,8-dmp)2(dmdppz)]2+ 6 Ru(2) — 3 candidates

GT: {"N": 8} Pred: {"N": 12}

0.67

Candidates → Complex detail MOL 3D Viewer

#3624 2 Ru(3) — 3 candidates

GT: {"N": 2, "O": 2, "P": 2} Pred: {"O": 3, "N": 3, "P": 3}

0.67

Candidates → Complex detail MOL 3D Viewer

#3664 Ru2 Ru(2) — 3 candidates

GT: {"N": 6} Pred: {"N": 9}

0.67

Candidates → Complex detail MOL 3D Viewer

#3718 3 Ru(2) — 3 candidates

GT: {"N": 8} Pred: {"N": 12}

0.67

Candidates → Complex detail MOL 3D Viewer

#3726 1 Ru(2) — 3 candidates

GT: {"N": 6} Pred: {"N": 9}

0.67

Candidates → Complex detail MOL 3D Viewer

#3844 2 Ru(2) — 2 candidates

GT: {"N": 6} Pred: {"N": 9}

0.67

Candidates → Complex detail MOL 3D Viewer

#3846 4 Ru(2) — 2 candidates

GT: {"N": 6} Pred: {"N": 9}

0.67

Candidates → Complex detail MOL 3D Viewer

#3847 5,3a Ru(2) — 2 candidates

GT: {"N": 6} Pred: {"N": 4}

0.67

Candidates → Complex detail MOL 3D Viewer

#3848 6 Ru(2) — 2 candidates

GT: {"N": 6} Pred: {"N": 9}

0.67

Candidates → Complex detail MOL 3D Viewer

#3853 Ru-BSe Ru(2) — 3 candidates

GT: {"N": 6} Pred: {"S": 3, "N": 6}

0.67

Candidates → Complex detail MOL 3D Viewer

#3865 5a Ru(2) — 3 candidates

GT: {"P": 2, "N": 4} Pred: {"P": 3, "N": 6}

0.67

Candidates → Complex detail MOL 3D Viewer

#3921 Ru3 Ru(2) — 3 candidates

GT: {"N": 8} Pred: {"N": 12}

0.67

Candidates → Complex detail MOL 3D Viewer

#3923 Ru5 Ru(2) — 3 candidates

GT: {"N": 8} Pred: {"N": 12}

0.67

Candidates → Complex detail MOL 3D Viewer

#3939 C1 Ru(3) — 1 candidates

GT: {"N": 3} Pred: {"N": 2}

0.67

Candidates → Complex detail MOL 3D Viewer

#3967 RuNTF Ru(2) — 3 candidates

GT: {"S": 2, "O": 3, "N": 3} Pred: {"O": 4, "S": 2, "N": 1}

0.67

Candidates → Complex detail MOL 3D Viewer

#3968 1,RuIP3 Ru(2) — 3 candidates

GT: {"N": 8} Pred: {"N": 12}

0.67

Candidates → Complex detail MOL 3D Viewer

#4023 1 Ru(2) — 3 candidates

GT: {"N": 8} Pred: {"N": 12}

0.67

Candidates → Complex detail MOL 3D Viewer

D-MPNN Donor Prediction