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
#2539 3 Ru(2) — 2 candidates
GT: {"S": 2, "O": 2} Pred: {"S": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#2545 2 Ru(2) — 3 candidates
GT: {"O": 1, "P": 4} Pred: {"O": 3, "P": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#2550 3 Ru(2) — 2 candidates
GT: {"N": 3, "O": 1} Pred: {"N": 2, "O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#2551 4 Ru(2) — 2 candidates
GT: {"N": 3, "O": 1} Pred: {"N": 2, "O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#2552 5 Ru(2) — 2 candidates
GT: {"N": 3, "O": 1} Pred: {"N": 2, "O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#2553 6 Ru(2) — 2 candidates
GT: {"Se": 2} Pred: {"Se": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#2554 7 Ru(2) — 2 candidates
GT: {"Se": 2} Pred: {"Se": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#2555 8 Ru(2) — 2 candidates
GT: {"O": 1, "Se": 1} Pred: {"Se": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#2556 9 Ru(2) — 2 candidates
GT: {"Se": 1} Pred: {"Se": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#2557 10 Ru(2) — 2 candidates
GT: {"Se": 1} Pred: {"Se": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#2561 2 Ru(2) — 5 candidates
GT: {"N": 8} Pred: {"N": 15}
0.00
Candidates → Complex detail MOL 3D Viewer
#2568 1 Ru(2) — 0 candidates
GT: {"N": 2} Pred: {}
0.00
Candidates → Complex detail MOL 3D Viewer
#2573 1 Ru(2) — 2 candidates
GT: {"P": 2} Pred: {"P": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#2574 2 Ru(2) — 2 candidates
GT: {"O": 1, "P": 2} Pred: {"P": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#2575 3 Ru(2) — 3 candidates
GT: {"N": 1, "P": 2} Pred: {"N": 3, "P": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#2576 4 Ru(2) — 2 candidates
GT: {"P": 2} Pred: {"P": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#2577 5 Ru(2) — 2 candidates
GT: {"P": 2, "O": 1} Pred: {"P": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#2580 RuCl3 Ru(3) — 0 candidates
GT: {"Cl": 3} Pred:
0.00
Candidates → Complex detail MOL 3D Viewer
#2592 [RuCl2(AsPh3)L] Ru(3) — 2 candidates
GT: {"O": 1, "N": 2, "As": 1} Pred: {"N": 2, "O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#2602 3a Ru(2) — 2 candidates
GT: {"O": 1} Pred: {"O": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#2603 3b Ru(2) — 2 candidates
GT: {"O": 1} Pred: {"O": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#2604 3c Ru(2) — 2 candidates
GT: {"O": 1} Pred: {"O": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#2605 3d Ru(2) — 2 candidates
GT: {"O": 1} Pred: {"O": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#2606 3e Ru(2) — 2 candidates
GT: {"O": 1} Pred: {"O": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#2607 4a Ru(2) — 3 candidates
GT: {"N": 3, "O": 1} Pred: {"N": 3, "O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#2608 4b Ru(2) — 3 candidates
GT: {"N": 3, "O": 1} Pred: {"N": 3, "O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#2609 4c Ru(2) — 3 candidates
GT: {"N": 3, "O": 1} Pred: {"N": 3, "O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#2610 4d Ru(2) — 3 candidates
GT: {"N": 3, "O": 1} Pred: {"N": 3, "O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#2611 4e Ru(2) — 3 candidates
GT: {"N": 3, "O": 1} Pred: {"N": 3, "O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#2612 1 Ru(2) — 2 candidates
GT: {"N": 1} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#2613 2 Ru(2) — 3 candidates
GT: {"N": 1, "O": 2} Pred: {"N": 3, "O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#2614 3 Ru(3) — 2 candidates
GT: {"N": 1, "S": 1, "O": 1} Pred: {"S": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#2618 2,Ru2 Ru(2) — 3 candidates
GT: {"N": 2, "S": 1, "P": 4} Pred: {"N": 3, "S": 3, "P": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#2623 1 Ru(2) — 2 candidates
GT: {"O": 1, "N": 2} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#2624 2 Ru(2) — 2 candidates
GT: {"O": 1, "N": 2} Pred: {"N": 2, "O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#2625 3 Ru(2) — 2 candidates
GT: {"O": 1, "N": 2} Pred: {"N": 2, "O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#2636 2 Ru(2) — 2 candidates
GT: {"N": 1, "O": 1} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#2637 4 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#2640 Ru1 Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#2641 Ru1a Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#2642 Ru1b Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#2643 Ru1c Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#2644 Ru1d Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#2645 Ru1e Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#2646 Ru1f Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#2647 1-Cl Ru(2) — 2 candidates
GT: {"N": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#2648 2-Cl Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#2649 3-Cl,3-PF6 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#2650 1 Ru(2) — 3 candidates
GT: {"N": 8} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#2651 2 Ru(2) — 3 candidates
GT: {"N": 8} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
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