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

#975 Ru1 Ru(2) — 3 candidates

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

0.58

Candidates → Complex detail MOL 3D Viewer

#976 Ru2 Ru(2) — 3 candidates

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

0.58

Candidates → Complex detail MOL 3D Viewer

#1348 CHL-RuL Ru(2) — 3 candidates

GT: {"N": 7} Pred: {"N": 12}

0.58

Candidates → Complex detail MOL 3D Viewer

#1554 1 Ru(2) — 3 candidates

GT: {"N": 7} Pred: {"N": 12}

0.58

Candidates → Complex detail MOL 3D Viewer

#1638 Ru(1) Ru(2) — 3 candidates

GT: {"N": 7} Pred: {"N": 12}

0.58

Candidates → Complex detail MOL 3D Viewer

#2005 2 Ru(2) — 3 candidates

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

0.58

Candidates → Complex detail MOL 3D Viewer

#2197 2 Ru(2) — 3 candidates

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

0.58

Candidates → Complex detail MOL 3D Viewer

#2209 RuTrp,Complex 6 Ru(2) — 3 candidates

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

0.58

Candidates → Complex detail MOL 3D Viewer

#2285 1 Ru(2) — 3 candidates

GT: {"N": 7} Pred: {"N": 9, "S": 3}

0.58

Candidates → Complex detail MOL 3D Viewer

#2286 2 Ru(2) — 3 candidates

GT: {"N": 7} Pred: {"N": 9, "S": 3}

0.58

Candidates → Complex detail MOL 3D Viewer

#2336 1 Ru(2) — 3 candidates

GT: {"N": 7} Pred: {"N": 9, "S": 3}

0.58

Candidates → Complex detail MOL 3D Viewer

#2337 2 Ru(2) — 3 candidates

GT: {"N": 7} Pred: {"N": 9, "S": 3}

0.58

Candidates → Complex detail MOL 3D Viewer

#2338 3 Ru(2) — 3 candidates

GT: {"N": 7} Pred: {"N": 9, "S": 3}

0.58

Candidates → Complex detail MOL 3D Viewer

#2339 4 Ru(2) — 3 candidates

GT: {"N": 7} Pred: {"N": 9, "S": 3}

0.58

Candidates → Complex detail MOL 3D Viewer

#2340 5 Ru(2) — 3 candidates

GT: {"N": 7} Pred: {"N": 9, "S": 3}

0.58

Candidates → Complex detail MOL 3D Viewer

#2400 Ru-3,Ru1 Ru(2) — 3 candidates

GT: {"N": 7} Pred: {"S": 3, "N": 9}

0.58

Candidates → Complex detail MOL 3D Viewer

#2401 Ru-4,Ru2 Ru(2) — 3 candidates

GT: {"N": 7} Pred: {"S": 3, "N": 9}

0.58

Candidates → Complex detail MOL 3D Viewer

#2402 Ru-5 Ru(2) — 3 candidates

GT: {"N": 7} Pred: {"N": 9, "S": 3}

0.58

Candidates → Complex detail MOL 3D Viewer

#2403 Ru-6 Ru(2) — 3 candidates

GT: {"N": 7} Pred: {"N": 9, "S": 3}

0.58

Candidates → Complex detail MOL 3D Viewer

#2404 Ru-7 Ru(2) — 3 candidates

GT: {"N": 7} Pred: {"N": 9, "S": 3}

0.58

Candidates → Complex detail MOL 3D Viewer

#2405 Ru-8 Ru(2) — 3 candidates

GT: {"N": 7} Pred: {"N": 9, "S": 3}

0.58

Candidates → Complex detail MOL 3D Viewer

#2406 Ru-9 Ru(2) — 3 candidates

GT: {"N": 7} Pred: {"N": 9, "S": 3}

0.58

Candidates → Complex detail MOL 3D Viewer

#2407 Ru-10 Ru(2) — 3 candidates

GT: {"N": 7} Pred: {"N": 9, "S": 3}

0.58

Candidates → Complex detail MOL 3D Viewer

#2429 5 Ru(2) — 3 candidates

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

0.58

Candidates → Complex detail MOL 3D Viewer

#2478 1Ru Ru(2) — 3 candidates

GT: {"N": 7} Pred: {"N": 12}

0.58

Candidates → Complex detail MOL 3D Viewer

#2479 2Ru Ru(2) — 3 candidates

GT: {"N": 7} Pred: {"N": 12}

0.58

Candidates → Complex detail MOL 3D Viewer

#2503 1 Ru(2) — 3 candidates

GT: {"N": 7} Pred: {"N": 12}

0.58

Candidates → Complex detail MOL 3D Viewer

#2653 VNK-572 Ru(2) — 3 candidates

GT: {"N": 7} Pred: {"N": 12}

0.58

Candidates → Complex detail MOL 3D Viewer

#2654 POW-12A Ru(2) — 3 candidates

GT: {"N": 7} Pred: {"N": 12}

0.58

Candidates → Complex detail MOL 3D Viewer

#2775 1 Ru(2) — 3 candidates

GT: {"N": 7} Pred: {"N": 12}

0.58

Candidates → Complex detail MOL 3D Viewer

#2801 Ru3,Ru 5 Ru(2) — 3 candidates

GT: {"N": 7} Pred: {"S": 3, "N": 9}

0.58

Candidates → Complex detail MOL 3D Viewer

#2802 Ru4,Ru 6 Ru(2) — 3 candidates

GT: {"N": 7} Pred: {"S": 3, "N": 9}

0.58

Candidates → Complex detail MOL 3D Viewer

#2803 Ru5 Ru(2) — 3 candidates

GT: {"N": 7} Pred: {"N": 9, "S": 3}

0.58

Candidates → Complex detail MOL 3D Viewer

#2804 Ru6 Ru(2) — 3 candidates

GT: {"N": 7} Pred: {"N": 9, "S": 3}

0.58

Candidates → Complex detail MOL 3D Viewer

#2807 Ru9 Ru(2) — 3 candidates

GT: {"N": 7} Pred: {"O": 3, "N": 9}

0.58

Candidates → Complex detail MOL 3D Viewer

#2808 Ru10 Ru(2) — 3 candidates

GT: {"N": 7} Pred: {"O": 3, "N": 9}

0.58

Candidates → Complex detail MOL 3D Viewer

#2809 Ru11,Ru 7 Ru(2) — 3 candidates

GT: {"N": 7} Pred: {"O": 3, "N": 9}

0.58

Candidates → Complex detail MOL 3D Viewer

#2810 Ru12,Ru 8 Ru(2) — 3 candidates

GT: {"N": 7} Pred: {"O": 3, "N": 9}

0.58

Candidates → Complex detail MOL 3D Viewer

#2811 Ru13 Ru(2) — 3 candidates

GT: {"N": 7} Pred: {"O": 3, "N": 9}

0.58

Candidates → Complex detail MOL 3D Viewer

#2812 Ru14 Ru(2) — 3 candidates

GT: {"N": 7} Pred: {"O": 3, "N": 9}

0.58

Candidates → Complex detail MOL 3D Viewer

#2897 1 Ru(2) — 3 candidates

GT: {"N": 7} Pred: {"N": 12}

0.58

Candidates → Complex detail MOL 3D Viewer

#2975 6 Ru(2) — 3 candidates

GT: {"N": 7} Pred: {"N": 12}

0.58

Candidates → Complex detail MOL 3D Viewer

#3005 2 Ru(2) — 4 candidates

GT: {"N": 7} Pred: {"N": 12}

0.58

Candidates → Complex detail MOL 3D Viewer

#3034 10 Ru(2) — 3 candidates

GT: {"N": 7} Pred: {"N": 12}

0.58

Candidates → Complex detail MOL 3D Viewer

#3176 Ru2 Ru(2) — 3 candidates

GT: {"N": 7} Pred: {"N": 12}

0.58

Candidates → Complex detail MOL 3D Viewer

#3246 4 Ru(2) — 3 candidates

GT: {"N": 7} Pred: {"N": 12}

0.58

Candidates → Complex detail MOL 3D Viewer

#3247 5 Ru(2) — 3 candidates

GT: {"N": 7} Pred: {"N": 12}

0.58

Candidates → Complex detail MOL 3D Viewer

#3323 1 Ru(2) — 3 candidates

GT: {"N": 7} Pred: {"N": 12}

0.58

Candidates → Complex detail MOL 3D Viewer

#3324 2 Ru(2) — 3 candidates

GT: {"N": 7} Pred: {"N": 12}

0.58

Candidates → Complex detail MOL 3D Viewer

#3447 [Ru(pymS)(dppm)₂]PF₆ (1) Ru(2) — 3 candidates

GT: {"S": 1, "N": 2, "P": 4} Pred: {"S": 3, "N": 3, "P": 6}

0.58

Candidates → Complex detail MOL 3D Viewer

D-MPNN Donor Prediction