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

#2204 Ru-2 Ru(2) — 3 candidates

GT: {"N": 4, "O": 2} Pred: {"N": 10, "O": 2}

0.50

Candidates → Complex detail MOL 3D Viewer

#2222 2 Ru(2) — 3 candidates

GT: {"S": 1, "N": 3, "P": 2} Pred: {"N": 7, "S": 3, "P": 2}

0.50

Candidates → Complex detail MOL 3D Viewer

#2224 cis-[RuCl2(dppb)(4-mebipy)],4 Ru(2) — 2 candidates

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

0.50

Candidates → Complex detail MOL 3D Viewer

#2225 1 Ru(2) — 3 candidates

GT: {"N": 3, "O": 1, "P": 2} Pred: {"N": 8, "O": 2, "P": 2}

0.50

Candidates → Complex detail MOL 3D Viewer

#2227 3 Ru(2) — 3 candidates

GT: {"N": 3, "O": 1, "P": 2} Pred: {"N": 7, "O": 3, "P": 2}

0.50

Candidates → Complex detail MOL 3D Viewer

#2229 5 Ru(2) — 3 candidates

GT: {"N": 4, "O": 1, "P": 2} Pred: {"N": 8, "O": 2, "P": 1}

0.50

Candidates → Complex detail MOL 3D Viewer

#2230 6 Ru(2) — 3 candidates

GT: {"N": 3, "O": 1, "P": 2} Pred: {"N": 8, "O": 2, "P": 2}

0.50

Candidates → Complex detail MOL 3D Viewer

#2232 Complex 1,Complex 5 Ru(2) — 3 candidates

GT: {"N": 3, "O": 1, "P": 2} Pred: {"N": 7, "O": 3, "P": 2}

0.50

Candidates → Complex detail MOL 3D Viewer

#2233 Complex 2,Ru(l-Gly) (1) Ru(2) — 3 candidates

GT: {"N": 3, "O": 1, "P": 2} Pred: {"N": 7, "O": 3, "P": 2}

0.50

Candidates → Complex detail MOL 3D Viewer

#2234 Complex 3 Ru(2) — 3 candidates

GT: {"N": 3, "O": 1, "P": 2} Pred: {"N": 7, "O": 3, "P": 2}

0.50

Candidates → Complex detail MOL 3D Viewer

#2239 Ru1 Ru(2) — 3 candidates

GT: {"N": 6} Pred: {"N": 12}

0.50

Candidates → Complex detail MOL 3D Viewer

#2240 Ru2 Ru(2) — 3 candidates

GT: {"N": 6} Pred: {"N": 12}

0.50

Candidates → Complex detail MOL 3D Viewer

#2272 2b,Ru1-pro Ru(2) — 3 candidates

GT: {"N": 6} Pred: {"N": 12}

0.50

Candidates → Complex detail MOL 3D Viewer

#2273 1 Ru(2) — 3 candidates

GT: {"N": 6} Pred: {"N": 12}

0.50

Candidates → Complex detail MOL 3D Viewer

#2295 1 Ru(2) — 2 candidates

GT: {"S": 3, "N": 2} Pred: {"S": 6, "N": 1}

0.50

Candidates → Complex detail MOL 3D Viewer

#2334 1 Ru(2) — 3 candidates

GT: {"N": 6} Pred: {"N": 12}

0.50

Candidates → Complex detail MOL 3D Viewer

#2384 1-(PF₆)₂ Ru(2) — 3 candidates

GT: {"N": 6} Pred: {"N": 12}

0.50

Candidates → Complex detail MOL 3D Viewer

#2395 Ru-A Ru(2) — 3 candidates

GT: {"N": 6} Pred: {"N": 12}

0.50

Candidates → Complex detail MOL 3D Viewer

#2396 Ru-B Ru(2) — 3 candidates

GT: {"N": 6} Pred: {"N": 12}

0.50

Candidates → Complex detail MOL 3D Viewer

#2397 Ru-C Ru(2) — 3 candidates

GT: {"N": 6} Pred: {"N": 12}

0.50

Candidates → Complex detail MOL 3D Viewer

#2410 5 Ru(2) — 3 candidates

GT: {"O": 2, "N": 4} Pred: {"O": 6, "N": 6}

0.50

Candidates → Complex detail MOL 3D Viewer

#2426 2,1 Ru(2) — 3 candidates

GT: {"N": 4, "S": 1, "P": 2} Pred: {"N": 7, "S": 3, "P": 1}

0.50

Candidates → Complex detail MOL 3D Viewer

#2427 3 Ru(2) — 3 candidates

GT: {"N": 4, "S": 1, "P": 1} Pred: {"N": 7, "S": 3, "P": 2}

0.50

Candidates → Complex detail MOL 3D Viewer

#2428 4 Ru(2) — 3 candidates

GT: {"S": 1, "N": 3, "P": 2} Pred: {"S": 3, "N": 7, "P": 2}

0.50

Candidates → Complex detail MOL 3D Viewer

#2449 SCAR 5 Ru(2) — 3 candidates

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

0.50

Candidates → Complex detail MOL 3D Viewer

#2504 2 Ru(2) — 3 candidates

GT: {"N": 6} Pred: {"N": 12}

0.50

Candidates → Complex detail MOL 3D Viewer

#2506 4 Ru(2) — 3 candidates

GT: {"N": 6} Pred: {"N": 12}

0.50

Candidates → Complex detail MOL 3D Viewer

#2509 1 Ru(2) — 3 candidates

GT: {"N": 6} Pred: {"N": 12}

0.50

Candidates → Complex detail MOL 3D Viewer

#2510 2,RC1 Ru(2) — 3 candidates

GT: {"N": 6} Pred: {"N": 12}

0.50

Candidates → Complex detail MOL 3D Viewer

#2511 3 Ru(2) — 3 candidates

GT: {"N": 6} Pred: {"N": 12}

0.50

Candidates → Complex detail MOL 3D Viewer

#2541 5 Ru(2) — 4 candidates

GT: {"N": 4, "P": 1} Pred: {"N": 7, "P": 3}

0.50

Candidates → Complex detail MOL 3D Viewer

#2542 Ru1 Ru(2) — 3 candidates

GT: {"N": 6} Pred: {"N": 12}

0.50

Candidates → Complex detail MOL 3D Viewer

#2544 1 Ru(2) — 3 candidates

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

0.50

Candidates → Complex detail MOL 3D Viewer

#2563 2 Ru(2) — 3 candidates

GT: {"N": 6} Pred: {"N": 12}

0.50

Candidates → Complex detail MOL 3D Viewer

#2564 SCAR1,1,3 Ru(2) — 3 candidates

GT: {"O": 1, "N": 3, "P": 2} Pred: {"O": 3, "N": 7, "P": 2}

0.50

Candidates → Complex detail MOL 3D Viewer

#2588 2 Ru(2) — 3 candidates

GT: {"N": 6} Pred: {"N": 12}

0.50

Candidates → Complex detail MOL 3D Viewer

#2589 3 Ru(2) — 3 candidates

GT: {"N": 6} Pred: {"N": 12}

0.50

Candidates → Complex detail MOL 3D Viewer

#2617 1,Ru1 Ru(2) — 3 candidates

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

0.50

Candidates → Complex detail MOL 3D Viewer

#2626 1 Ru(2) — 3 candidates

GT: {"O": 1, "N": 3, "P": 2} Pred: {"O": 3, "N": 7, "P": 2}

0.50

Candidates → Complex detail MOL 3D Viewer

#2627 2 Ru(2) — 3 candidates

GT: {"N": 3, "O": 1, "P": 2} Pred: {"N": 7, "O": 3, "P": 2}

0.50

Candidates → Complex detail MOL 3D Viewer

#2633 Ru2 Ru(2) — 3 candidates

GT: {"N": 6} Pred: {"N": 12}

0.50

Candidates → Complex detail MOL 3D Viewer

#2634 Ru3 Ru(2) — 3 candidates

GT: {"N": 6} Pred: {"N": 12}

0.50

Candidates → Complex detail MOL 3D Viewer

#2682 Ru-2 Ru(2) — 3 candidates

GT: {"O": 1, "N": 5} Pred: {"O": 3, "N": 9}

0.50

Candidates → Complex detail MOL 3D Viewer

#2697 II Ru(2) — 3 candidates

GT: {"O": 2, "S": 1} Pred: {"O": 5, "S": 1}

0.50

Candidates → Complex detail MOL 3D Viewer

#2699 4,3 Ru(2) — 3 candidates

GT: {"O": 1, "N": 3, "P": 2} Pred: {"O": 3, "N": 7, "P": 2}

0.50

Candidates → Complex detail MOL 3D Viewer

#2708 2b Ru(2) — 3 candidates

GT: {"S": 1, "O": 1, "N": 5} Pred: {"O": 3, "N": 8}

0.50

Candidates → Complex detail MOL 3D Viewer

#2742 3 Ru(2) — 2 candidates

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

0.50

Candidates → Complex detail MOL 3D Viewer

#2754 1 Ru(2) — 3 candidates

GT: {"N": 6} Pred: {"N": 12}

0.50

Candidates → Complex detail MOL 3D Viewer

#2760 1,2 Ru(2) — 2 candidates

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

0.50

Candidates → Complex detail MOL 3D Viewer

#2777 Ru1 Ru(2) — 3 candidates

GT: {"N": 6} Pred: {"N": 12}

0.50

Candidates → Complex detail MOL 3D Viewer

D-MPNN Donor Prediction