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

#3589 [Ru (3,4,7,8-dmp)2(dppz)]2+ 5 Ru(2) — 3 candidates

GT: {"N": 8} Pred: {"N": 14}

0.57

Candidates → Complex detail MOL 3D Viewer

#4185 3 Ru(3) — 2 candidates

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

0.57

Candidates → Complex detail MOL 3D Viewer

#4186 4 Ru(3) — 2 candidates

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

0.57

Candidates → Complex detail MOL 3D Viewer

#4371 1 Ru(2) — 3 candidates

GT: {"N": 8} Pred: {"N": 14}

0.57

Candidates → Complex detail MOL 3D Viewer

#6186 7 Re(1) — 2 candidates

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

0.57

Candidates → Complex detail MOL 3D Viewer

#6228 2 Re(1) — 2 candidates

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

0.57

Candidates → Complex detail MOL 3D Viewer

#6707 Os-3 Os(2) — 3 candidates

GT: {"N": 8} Pred: {"N": 14}

0.57

Candidates → Complex detail MOL 3D Viewer

#6889 5 Rh(3) — 2 candidates

GT: {"N": 7} Pred: {"N": 4}

0.57

Candidates → Complex detail MOL 3D Viewer

#305 Ru(BAC) Ru(2) — 3 candidates

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

0.56

Candidates → Complex detail MOL 3D Viewer

#307 Ru(EGA) Ru(2) — 3 candidates

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

0.56

Candidates → Complex detail MOL 3D Viewer

#335 Ru1 Ru(2) — 3 candidates

GT: {"O": 3, "S": 2} Pred: {"O": 6, "S": 3}

0.56

Candidates → Complex detail MOL 3D Viewer

#342 Ru(1) Ru(2) — 3 candidates

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

0.56

Candidates → Complex detail MOL 3D Viewer

#343 Ru(2) Ru(2) — 3 candidates

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

0.56

Candidates → Complex detail MOL 3D Viewer

#344 Ru(3) Ru(2) — 3 candidates

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

0.56

Candidates → Complex detail MOL 3D Viewer

#347 Ru(6) Ru(2) — 3 candidates

GT: {"O": 1, "P": 4} Pred: {"O": 3, "P": 6}

0.56

Candidates → Complex detail MOL 3D Viewer

#430 1 Ru(2) — 3 candidates

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

0.56

Candidates → Complex detail MOL 3D Viewer

#432 3,Complex (1) Ru(2) — 3 candidates

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

0.56

Candidates → Complex detail MOL 3D Viewer

#737 TBzbp Ru(2) — 3 candidates

GT: {"N": 5} Pred: {"S": 3, "N": 6}

0.56

Candidates → Complex detail MOL 3D Viewer

#738 TBzph Ru(2) — 3 candidates

GT: {"N": 5} Pred: {"S": 3, "N": 6}

0.56

Candidates → Complex detail MOL 3D Viewer

#863 Complex (2) Ru(2) — 3 candidates

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

0.56

Candidates → Complex detail MOL 3D Viewer

#864 Complex (3) Ru(2) — 3 candidates

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

0.56

Candidates → Complex detail MOL 3D Viewer

#1174 1 Ru(3) — 3 candidates

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

0.56

Candidates → Complex detail MOL 3D Viewer

#1463 1 Ru(2) — 3 candidates

GT: {"O": 1, "N": 4} Pred: {"O": 3, "N": 6}

0.56

Candidates → Complex detail MOL 3D Viewer

#1464 2 Ru(2) — 3 candidates

GT: {"O": 1, "N": 4} Pred: {"O": 3, "N": 6}

0.56

Candidates → Complex detail MOL 3D Viewer

#1465 1 Ru(3) — 3 candidates

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

0.56

Candidates → Complex detail MOL 3D Viewer

#1490 2 Ru(2) — 3 candidates

GT: {"N": 5} Pred: {"N": 9}

0.56

Candidates → Complex detail MOL 3D Viewer

#1503 2 Ru(2) — 3 candidates

GT: {"N": 5} Pred: {"N": 9}

0.56

Candidates → Complex detail MOL 3D Viewer

#1547 [Ru(DMP)2(DA)Cl](ClO4) Ru(2) — 3 candidates

GT: {"N": 5} Pred: {"N": 9}

0.56

Candidates → Complex detail MOL 3D Viewer

#1979 Complex 2 Ru(2) — 3 candidates

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

0.56

Candidates → Complex detail MOL 3D Viewer

#2628 3 Ru(2) — 3 candidates

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

0.56

Candidates → Complex detail MOL 3D Viewer

#2686 1 Ru(2) — 3 candidates

GT: {"N": 5} Pred: {"N": 9}

0.56

Candidates → Complex detail MOL 3D Viewer

#2718 [Ru(DMP)2(CA)Cl](ClO4) Ru(2) — 3 candidates

GT: {"N": 5} Pred: {"N": 9}

0.56

Candidates → Complex detail MOL 3D Viewer

#3153 Complex 1 Ru(2) — 2 candidates

GT: {"N": 4, "P": 1} Pred: {"N": 8, "P": 1}

0.56

Candidates → Complex detail MOL 3D Viewer

#3155 1 Ru(2) — 3 candidates

GT: {"O": 1, "N": 4} Pred: {"O": 3, "N": 6}

0.56

Candidates → Complex detail MOL 3D Viewer

#3156 2 Ru(2) — 3 candidates

GT: {"O": 1, "N": 4} Pred: {"O": 3, "N": 6}

0.56

Candidates → Complex detail MOL 3D Viewer

#3216 [Ru(AB)(bipy)(dppe)]PF6 Ru(2) — 3 candidates

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

0.56

Candidates → Complex detail MOL 3D Viewer

#3217 [Ru(AB)(bipy)(dppp)]PF6 Ru(2) — 3 candidates

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

0.56

Candidates → Complex detail MOL 3D Viewer

#3704 1c Ru(2) — 2 candidates

GT: {"O": 1, "N": 5} Pred: {"N": 8}

0.56

Candidates → Complex detail MOL 3D Viewer

#3706 2c Ru(2) — 2 candidates

GT: {"O": 1, "N": 5} Pred: {"N": 8}

0.56

Candidates → Complex detail MOL 3D Viewer

#3871 Ru(GA) Ru(2) — 3 candidates

GT: {"O": 1, "P": 4} Pred: {"O": 3, "P": 6}

0.56

Candidates → Complex detail MOL 3D Viewer

#4156 5 Ru(2) — 3 candidates

GT: {"N": 3, "P": 2} Pred: {"N": 7, "P": 2}

0.56

Candidates → Complex detail MOL 3D Viewer

#4181 1 Ru(3) — 2 candidates

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

0.56

Candidates → Complex detail MOL 3D Viewer

#4182 2 Ru(3) — 2 candidates

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

0.56

Candidates → Complex detail MOL 3D Viewer

#4231 2 Ru(3) — 2 candidates

GT: {"N": 7} Pred: {"O": 2, "N": 5}

0.56

Candidates → Complex detail MOL 3D Viewer

#4378 2b Ru(2) — 3 candidates

GT: {"N": 5} Pred: {"N": 9}

0.56

Candidates → Complex detail MOL 3D Viewer

#4379 2c Ru(2) — 3 candidates

GT: {"N": 5} Pred: {"N": 9}

0.56

Candidates → Complex detail MOL 3D Viewer

#4532 1 Ru(2) — 3 candidates

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

0.56

Candidates → Complex detail MOL 3D Viewer

#4565 7 Ru(2) — 3 candidates

GT: {"O": 1, "N": 4} Pred: {"O": 3, "N": 6}

0.56

Candidates → Complex detail MOL 3D Viewer

#4621 RuIQ-4 Ru(2) — 3 candidates

GT: {"N": 5} Pred: {"N": 9}

0.56

Candidates → Complex detail MOL 3D Viewer

#4622 RuIQ-5 Ru(2) — 3 candidates

GT: {"N": 5} Pred: {"N": 9}

0.56

Candidates → Complex detail MOL 3D Viewer

D-MPNN Donor Prediction