D-MPNN Scoring — BiometalDB

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

Exact (1.0)

451

Partial (>0)

424

No match

0.260

Mean score

#330 Rbtb Ru(2) — 30 candidates

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

0.43

Candidates → Complex detail MOL 3D Viewer

#364 3a Ru(2) — 30 candidates

GT: {"N": 7} Pred: {"N": 3}

0.43

Candidates → Complex detail MOL 3D Viewer

#388 3 Ru(3) — 30 candidates

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

0.43

Candidates → Complex detail MOL 3D Viewer

#479 3,Ru Ru(2) — 30 candidates

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

0.43

Candidates → Complex detail MOL 3D Viewer

#486 Ru2 Ru(2) — 30 candidates

GT: {"F": 2, "N": 5} Pred: {"N": 3}

0.43

Candidates → Complex detail MOL 3D Viewer

#784 Ru1 Ru(2) — 30 candidates

GT: {"O": 2, "N": 5} Pred: {"N": 3}

0.43

Candidates → Complex detail MOL 3D Viewer

#879 Ru-complex 4 Ru(2) — 30 candidates

GT: {"Cl": 3, "N": 3} Pred: {"N": 4}

0.43

Candidates → Complex detail MOL 3D Viewer

#97 Ru3 Ru(2) — 30 candidates

GT: {"S": 1, "N": 2, "P": 2} Pred: {"N": 1, "S": 1}

0.40

Candidates → Complex detail MOL 3D Viewer

#147 1 Ru(2) — 30 candidates

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

0.40

Candidates → Complex detail MOL 3D Viewer

#148 2 Ru(2) — 30 candidates

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

0.40

Candidates → Complex detail MOL 3D Viewer

#158 RDC34,4a,4b Ru(2) — 30 candidates

GT: {"N": 5} Pred: {"N": 2}

0.40

Candidates → Complex detail MOL 3D Viewer

#242 C2 Ru(2) — 30 candidates

GT: {"O": 4, "P": 1} Pred: {"O": 2}

0.40

Candidates → Complex detail MOL 3D Viewer

#252 4 Ru(2) — 30 candidates

GT: {"N": 2} Pred: {"N": 5}

0.40

Candidates → Complex detail MOL 3D Viewer

#255 [1]NO3 Ru(2) — 30 candidates

GT: {"O": 5} Pred: {"O": 2}

0.40

Candidates → Complex detail MOL 3D Viewer

#302 1 Ru(2) — 30 candidates

GT: {"S": 1, "N": 1, "P": 2} Pred: {"N": 2, "S": 1}

0.40

Candidates → Complex detail MOL 3D Viewer

#304 3 Ru(2) — 30 candidates

GT: {"S": 1, "N": 1, "P": 2} Pred: {"N": 2, "S": 1}

0.40

Candidates → Complex detail MOL 3D Viewer

#345 Ru(4) Ru(2) — 30 candidates

GT: {"O": 3, "P": 2} Pred: {"O": 1, "P": 1}

0.40

Candidates → Complex detail MOL 3D Viewer

#374 5 Ru(2) — 30 candidates

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

0.40

Candidates → Complex detail MOL 3D Viewer

#375 6 Ru(2) — 30 candidates

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

0.40

Candidates → Complex detail MOL 3D Viewer

#461 RuPhBio Ru(2) — 30 candidates

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

0.40

Candidates → Complex detail MOL 3D Viewer

#481 5 Ru(2) — 30 candidates

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

0.40

Candidates → Complex detail MOL 3D Viewer

#641 1 Ru(2) — 30 candidates

GT: {"O": 5} Pred: {"O": 2}

0.40

Candidates → Complex detail MOL 3D Viewer

#642 2 Ru(2) — 30 candidates

GT: {"O": 5} Pred: {"O": 2}

0.40

Candidates → Complex detail MOL 3D Viewer

#652 C Ru(2) — 30 candidates

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

0.40

Candidates → Complex detail MOL 3D Viewer

#764 Complex (1) Ru(2) — 30 candidates

GT: {"Cl": 1, "N": 4} Pred: {"N": 2}

0.40

Candidates → Complex detail MOL 3D Viewer

#778 Ru4 Ru(2) — 30 candidates

GT: {"N": 2} Pred: {"N": 5}

0.40

Candidates → Complex detail MOL 3D Viewer

#814 Ru4 Ru(2) — 30 candidates

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

0.40

Candidates → Complex detail MOL 3D Viewer

#834 D2 Ru(2) — 25 candidates

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

0.40

Candidates → Complex detail MOL 3D Viewer

#841 C3 Ru(2) — 30 candidates

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

0.40

Candidates → Complex detail MOL 3D Viewer

#851 Complex 2 Ru(2) — 30 candidates

GT: {"N": 2} Pred: {"N": 5}

0.40

Candidates → Complex detail MOL 3D Viewer

#4837 1c,3 Ir(3) — 30 candidates

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

0.40

Candidates → Complex detail MOL 3D Viewer

#4840 2c Ir(3) — 30 candidates

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

0.40

Candidates → Complex detail MOL 3D Viewer

#4842 3b,1 Ir(3) — 30 candidates

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

0.40

Candidates → Complex detail MOL 3D Viewer

#6384 ODC3 Os(2) — 30 candidates

GT: {"N": 5} Pred: {"N": 2}

0.40

Candidates → Complex detail MOL 3D Viewer

#80 Ru7 Ru(2) — 30 candidates

GT: {"N": 8} Pred: {"N": 3}

0.38

Candidates → Complex detail MOL 3D Viewer

#256 [3]NO3 Ru(3) — 30 candidates

GT: {"O": 6, "N": 2} Pred: {"O": 1, "N": 2}

0.38

Candidates → Complex detail MOL 3D Viewer

#840 C2 Ru(2) — 30 candidates

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

0.38

Candidates → Complex detail MOL 3D Viewer

#4855 Ir2 Ir(3) — 30 candidates

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

0.38

Candidates → Complex detail MOL 3D Viewer

#46 3 Ru(2) — 30 candidates

GT: {"N": 2, "P": 1} Pred: {"N": 1}

0.33

Candidates → Complex detail MOL 3D Viewer

#51 1a Ru(2) — 17 candidates

GT: {"O": 6} Pred: {"O": 2}

0.33

Candidates → Complex detail MOL 3D Viewer

#52 2a Ru(2) — 17 candidates

GT: {"O": 6} Pred: {"O": 2}

0.33

Candidates → Complex detail MOL 3D Viewer

#74 Ru1 Ru(2) — 30 candidates