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
#2655 2 Ru(2) — 3 candidates
GT: {"O": 3, "N": 3} Pred: {"N": 6, "O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#2656 Ru1 Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#2657 Ru2 Ru(2) — 3 candidates
GT: {"N": 7, "P": 1} Pred: {"P": 3, "N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#2660 Ru1 Ru(2) — 3 candidates
GT: {"N": 7} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#2661 Ru2 Ru(2) — 3 candidates
GT: {"N": 7} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#2662 Ru3 Ru(2) — 3 candidates
GT: {"N": 7} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#2663 Complex 1 Ru(2) — 0 candidates
GT: {"O": 2, "N": 2, "P": 2} Pred: {}
0.00
Candidates → Complex detail MOL 3D Viewer
#2664 Complex 2 Ru(2) — 0 candidates
GT: {"O": 2, "N": 2, "P": 2} Pred: {}
0.00
Candidates → Complex detail MOL 3D Viewer
#2665 Complex 1 Ru(2) — 2 candidates
GT: {"O": 1, "N": 2} Pred: {"O": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#2666 Complex 2 Ru(2) — 2 candidates
GT: {"O": 1, "N": 2} Pred: {"O": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#2667 Complex 3 Ru(2) — 2 candidates
GT: {"O": 1, "N": 3} Pred: {"O": 1, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#2668 Complex C1 Ru(2) — 2 candidates
GT: {"O": 1, "N": 2} Pred: {"O": 1, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#2669 Complex C2 Ru(2) — 3 candidates
GT: {"O": 1, "N": 2, "P": 1} Pred: {"O": 2, "N": 2, "P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#2670 Complex C3 Ru(2) — 3 candidates
GT: {"N": 5, "P": 1, "O": 1} Pred: {"P": 3, "O": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#2671 2 Ru(2) — 0 candidates
GT: {"O": 2, "N": 3} Pred: {}
0.00
Candidates → Complex detail MOL 3D Viewer
#2672 8a Ru(2) — 3 candidates
GT: {"N": 7} Pred: {"N": 8}
0.00
Candidates → Complex detail MOL 3D Viewer
#2673 8b Ru(2) — 3 candidates
GT: {"N": 8} Pred: {"N": 8}
0.00
Candidates → Complex detail MOL 3D Viewer
#2674 1 Ru(2) — 0 candidates
GT: {"N": 5, "O": 2} Pred: {}
0.00
Candidates → Complex detail MOL 3D Viewer
#2675 RuBQ Ru(2) — 2 candidates
GT: {"N": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#2688 LCR134 Ru(2) — 3 candidates
GT: {"N": 6, "P": 1} Pred: {"S": 6, "N": 6, "P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#2690 4a Ru(2) — 0 candidates
GT: {"O": 2} Pred: {}
0.00
Candidates → Complex detail MOL 3D Viewer
#2691 4b Ru(2) — 0 candidates
GT: {"O": 2} Pred: {}
0.00
Candidates → Complex detail MOL 3D Viewer
#2692 4c Ru(2) — 0 candidates
GT: {"O": 2} Pred: {}
0.00
Candidates → Complex detail MOL 3D Viewer
#2693 5a Ru(2) — 1 candidates
GT: {"O": 4} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#2694 5b Ru(2) — 1 candidates
GT: {"O": 4} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#2695 6a Ru(2) — 1 candidates
GT: {"O": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#2696 6b Ru(2) — 1 candidates
GT: {"O": 5} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#2698 2 Ru(2) — 3 candidates
GT: {"O": 1, "N": 3, "P": 2} Pred: {"O": 3, "N": 7}
0.00
Candidates → Complex detail MOL 3D Viewer
#2714 3f Ru(2) — 2 candidates
GT: {"N": 3, "P": 2} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#2717 3i Ru(2) — 2 candidates
GT: {"N": 5, "P": 2} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#2723 2 Ru(2) — 3 candidates
GT: {"N": 8} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#2726 RuBTB Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#2727 RuBpy Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#2728 Complex 1 Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#2729 Complex 2 Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#2730 Complex 3 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#2731 Complex 4 Ru(2) — 4 candidates
GT: {"N": 7} Pred: {"N": 9}
0.00
Candidates → Complex detail MOL 3D Viewer
#2732 Complex 5 Ru(2) — 4 candidates
GT: {"N": 7} Pred: {"N": 9}
0.00
Candidates → Complex detail MOL 3D Viewer
#2733 Complex 6 Ru(2) — 4 candidates
GT: {"N": 6} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#2743 RuC3 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 10}
0.00
Candidates → Complex detail MOL 3D Viewer
#2744 RuC6 Ru(2) — 3 candidates
GT: {"N": 6} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#2745 RuC9 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 7}
0.00
Candidates → Complex detail MOL 3D Viewer
#2746 RuC12 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#2747 3ai Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"S": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#2748 3aii Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"S": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#2749 3aiii Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"S": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#2750 3bii Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"S": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#2751 5bi Ru(2) — 2 candidates
GT: {"N": 5} Pred: {"S": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#2752 5civ Ru(2) — 2 candidates
GT: {"N": 5} Pred: {"S": 4, "N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#2756 5 Ru(2) — 2 candidates
GT: {"N": 2, "S": 1} Pred: {"S": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
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