homecomplexesD-MPNN

D-MPNN Donor Prediction

Sequential multi-lig (7058) — 7058 complexes
rdmetallics.net (363)Sequential multi-lig (7058)Single-ligand (939)⇄ Compare
87
Exact (1.0)
2026
Partial (>0)
4945
No match
0.159
Mean score
Reset
#2474 7 Ru(2) — 2 candidates
GT: {"O": 1, "N": 2} Pred: {"O": 1, "S": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#2475 8 Ru(2) — 2 candidates
GT: {"O": 1, "N": 2} Pred: {"O": 1, "S": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#2476 Ru-1-MeIm Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#2477 Ru-Pip Ru(2) — 2 candidates
GT: {"N": 1} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#2480 3Ru Ru(2) — 3 candidates
GT: {"N": 7} Pred: {"N": 11}
0.00
Candidates → Complex detail MOL 3D Viewer
#2481 1 Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#2482 2 Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#2483 3 Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#2487 1 Ru(2) — 2 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#2488 2 Ru(2) — 2 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#2489 3 Ru(2) — 2 candidates
GT: {"N": 1} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#2490 4 Ru(2) — 2 candidates
GT: {"N": 1} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#2491 5 Ru(2) — 2 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#2492 6 Ru(2) — 2 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#2493 7 Ru(2) — 2 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#2494 8 Ru(2) — 2 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#2495 1 Ru(2) — 2 candidates
GT: {"N": 2, "O": 1} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#2496 2 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#2497 1 Ru(2) — 2 candidates
GT: {"O": 1} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#2498 2 Ru(2) — 2 candidates
GT: {"O": 1} Pred: {"O": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#2499 3 Ru(2) — 2 candidates
GT: {"O": 1} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#2500 4 Ru(2) — 3 candidates
GT: {"O": 1, "P": 1} Pred: {"O": 3, "P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#2501 5 Ru(2) — 3 candidates
GT: {"O": 1, "P": 1} Pred: {"O": 2, "P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#2502 6 Ru(2) — 3 candidates
GT: {"O": 1, "P": 1} Pred: {"O": 3, "P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#2505 3 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#2507 5 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#2508 6 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#2514 7 Ru(2) — 3 candidates
GT: {"N": 8} Pred: {"N": 8}
0.00
Candidates → Complex detail MOL 3D Viewer
#2515 P1 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"S": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#2516 P2 Ru(2) — 2 candidates
GT: {"N": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#2517 P3 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"S": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#2518 P4 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"S": 2, "O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#2519 P5 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"S": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#2520 P6 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"S": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#2521 1 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"S": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#2522 2 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"S": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#2523 3 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"O": 2, "S": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#2524 4 Ru(2) — 2 candidates
GT: {"N": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#2525 1 Ru(2) — 3 candidates
GT: {"S": 2, "N": 4} Pred: {"O": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#2526 2 Ru(2) — 2 candidates
GT: {"N": 6} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#2527 Ru1 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 7}
0.00
Candidates → Complex detail MOL 3D Viewer
#2528 Ru2 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#2529 1,RM100 Ru(2) — 3 candidates
GT: {"N": 2} Pred: {"N": 5}
0.00
Candidates → Complex detail MOL 3D Viewer
#2530 2,RM101 Ru(2) — 3 candidates
GT: {"N": 2} Pred: {"N": 5}
0.00
Candidates → Complex detail MOL 3D Viewer
#2531 4,RM118 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#2532 6,RM121,[Ru(η6-p-cymene)(en)I]PF6 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#2533 7,RM114 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"O": 1, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#2535 10,HC29 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#2537 HC11 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#2538 HC27 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
«‹ 70717273747576777879 ›» 75/142 (7058 total)