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
#6600 7a Os(2) — 4 candidates
GT: {"N": 8} Pred: {"N": 10}
0.80
Candidates → Complex detail MOL 3D Viewer
#6996 Rh1 Rh(3) — 2 candidates
GT: {"N": 5} Pred: {"N": 4}
0.80
Candidates → Complex detail MOL 3D Viewer
#6998 Rh3 Rh(3) — 2 candidates
GT: {"N": 5} Pred: {"N": 4}
0.80
Candidates → Complex detail MOL 3D Viewer
#7005 Rh11 Rh(3) — 2 candidates
GT: {"N": 5} Pred: {"N": 4}
0.80
Candidates → Complex detail MOL 3D Viewer
#87 2 Ru(2) — 3 candidates
GT: {"N": 7, "P": 1} Pred: {"N": 6, "P": 2}
0.78
Candidates → Complex detail MOL 3D Viewer
#91 6 Ru(2) — 3 candidates
GT: {"N": 7, "P": 1} Pred: {"N": 6, "P": 2}
0.78
Candidates → Complex detail MOL 3D Viewer
#96 Ru2 Ru(2) — 3 candidates
GT: {"S": 1, "N": 3, "P": 3} Pred: {"S": 3, "N": 3, "P": 3}
0.78
Candidates → Complex detail MOL 3D Viewer
#367 3c Ru(2) — 3 candidates
GT: {"N": 7} Pred: {"N": 9}
0.78
Candidates → Complex detail MOL 3D Viewer
#544 3 Ru(2) — 3 candidates
GT: {"N": 7, "P": 1} Pred: {"N": 6, "P": 2}
0.78
Candidates → Complex detail MOL 3D Viewer
#545 4 Ru(2) — 3 candidates
GT: {"N": 7, "P": 1} Pred: {"N": 6, "P": 2}
0.78
Candidates → Complex detail MOL 3D Viewer
#547 6 Ru(2) — 3 candidates
GT: {"N": 7, "P": 1} Pred: {"N": 6, "P": 2}
0.78
Candidates → Complex detail MOL 3D Viewer
#548 7 Ru(2) — 3 candidates
GT: {"N": 7, "P": 1} Pred: {"N": 6, "P": 2}
0.78
Candidates → Complex detail MOL 3D Viewer
#710 2a/2b Ru(2) — 3 candidates
GT: {"P": 2, "S": 1, "N": 4} Pred: {"P": 3, "S": 2, "N": 4}
0.78
Candidates → Complex detail MOL 3D Viewer
#741 1 Ru(2) — 3 candidates
GT: {"O": 1, "N": 6} Pred: {"O": 3, "N": 6}
0.78
Candidates → Complex detail MOL 3D Viewer
#1291 1 Ru(2) — 2 candidates
GT: {"N": 7} Pred: {"N": 9}
0.78
Candidates → Complex detail MOL 3D Viewer
#1542 MB2 Ru(2) — 3 candidates
GT: {"N": 7} Pred: {"N": 9}
0.78
Candidates → Complex detail MOL 3D Viewer
#1639 Ru(2) Ru(2) — 3 candidates
GT: {"N": 7} Pred: {"N": 9}
0.78
Candidates → Complex detail MOL 3D Viewer
#2598 2A Ru(2) — 3 candidates
GT: {"N": 7} Pred: {"N": 9}
0.78
Candidates → Complex detail MOL 3D Viewer
#2652 VNK-754 Ru(2) — 3 candidates
GT: {"N": 7} Pred: {"N": 9}
0.78
Candidates → Complex detail MOL 3D Viewer
#2687 2 Ru(2) — 3 candidates
GT: {"N": 7} Pred: {"N": 9}
0.78
Candidates → Complex detail MOL 3D Viewer
#2776 2 Ru(2) — 3 candidates
GT: {"N": 7} Pred: {"N": 9}
0.78
Candidates → Complex detail MOL 3D Viewer
#3240 Ru3 Ru(2) — 3 candidates
GT: {"N": 5, "P": 2} Pred: {"N": 6, "P": 3}
0.78
Candidates → Complex detail MOL 3D Viewer
#3698 2a,3a Ru(2) — 2 candidates
GT: {"N": 7} Pred: {"N": 9}
0.78
Candidates → Complex detail MOL 3D Viewer
#3710 4c Ru(2) — 2 candidates
GT: {"O": 1, "N": 7} Pred: {"N": 8}
0.78
Candidates → Complex detail MOL 3D Viewer
#3851 Ru-Se Ru(2) — 3 candidates
GT: {"N": 7} Pred: {"N": 9}
0.78
Candidates → Complex detail MOL 3D Viewer
#4726 Ru-1 Ru(2) — 3 candidates
GT: {"N": 7} Pred: {"N": 9}
0.78
Candidates → Complex detail MOL 3D Viewer
#4727 Ru-2 Ru(2) — 3 candidates
GT: {"N": 7} Pred: {"N": 9}
0.78
Candidates → Complex detail MOL 3D Viewer
#88 3 Ru(2) — 3 candidates
GT: {"N": 5, "P": 1} Pred: {"N": 6, "P": 2}
0.75
Candidates → Complex detail MOL 3D Viewer
#89 4 Ru(2) — 3 candidates
GT: {"P": 1, "N": 5} Pred: {"P": 3, "N": 5}
0.75
Candidates → Complex detail MOL 3D Viewer
#90 5 Ru(2) — 3 candidates
GT: {"P": 1, "N": 5} Pred: {"P": 3, "N": 5}
0.75
Candidates → Complex detail MOL 3D Viewer
#143 3 Ru(2) — 2 candidates
GT: {"N": 8} Pred: {"N": 6}
0.75
Candidates → Complex detail MOL 3D Viewer
#293 RUNAT-BI Ru(2) — 2 candidates
GT: {"N": 8} Pred: {"N": 6}
0.75
Candidates → Complex detail MOL 3D Viewer
#582 1 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 8}
0.75
Candidates → Complex detail MOL 3D Viewer
#588 RuU Ru(3) — 2 candidates
GT: {"N": 8} Pred: {"N": 6}
0.75
Candidates → Complex detail MOL 3D Viewer
#770 3 Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 3, "S": 1}
0.75
Candidates → Complex detail MOL 3D Viewer
#839 C1 Ru(3) — 1 candidates
GT: {"O": 1, "N": 3} Pred: {"O": 1, "N": 2}
0.75
Candidates → Complex detail MOL 3D Viewer
#851 Complex 2 Ru(2) — 2 candidates
GT: {"N": 8} Pred: {"N": 6}
0.75
Candidates → Complex detail MOL 3D Viewer
#1008 Ru2 Ru(2) — 2 candidates
GT: {"O": 1, "P": 2} Pred: {"O": 2, "P": 2}
0.75
Candidates → Complex detail MOL 3D Viewer
#1382 16 Ru(2) — 2 candidates
GT: {"N": 2, "O": 2} Pred: {"O": 2, "N": 1}
0.75
Candidates → Complex detail MOL 3D Viewer
#1966 [RuCl(LL3)(H2O)] Ru(3) — 1 candidates
GT: {"O": 2, "N": 2} Pred: {"O": 1, "N": 2}
0.75
Candidates → Complex detail MOL 3D Viewer
#2566 2 Ru(3) — 2 candidates
GT: {"N": 4} Pred: {"N": 3}
0.75
Candidates → Complex detail MOL 3D Viewer
#2770 Ruthenium complex Ru(2) — 2 candidates
GT: {"N": 6} Pred: {"N": 8}
0.75
Candidates → Complex detail MOL 3D Viewer
#2781 2 Ru(2) — 3 candidates
GT: {"N": 6, "P": 2} Pred: {"N": 5, "P": 1}
0.75
Candidates → Complex detail MOL 3D Viewer
#3410 3 Ru(2) — 2 candidates
GT: {"N": 5, "S": 1} Pred: {"N": 7, "S": 1}
0.75
Candidates → Complex detail MOL 3D Viewer
#3569 Na[RuCl4(CF3Hin)2] (3b) Ru(3) — 2 candidates
GT: {"N": 4} Pred: {"N": 3}
0.75
Candidates → Complex detail MOL 3D Viewer
#3571 Na[RuCl4(CF3Him)2] (2b) Ru(3) — 2 candidates
GT: {"N": 4} Pred: {"N": 3}
0.75
Candidates → Complex detail MOL 3D Viewer
#3573 Na[RuCl4Him2] Ru(3) — 2 candidates
GT: {"N": 4} Pred: {"N": 3}
0.75
Candidates → Complex detail MOL 3D Viewer
#3761 1 Ru(3) — 2 candidates
GT: {"N": 8} Pred: {"N": 6}
0.75
Candidates → Complex detail MOL 3D Viewer
#3845 3 Ru(2) — 2 candidates
GT: {"N": 6} Pred: {"N": 8}
0.75
Candidates → Complex detail MOL 3D Viewer
#4007 Ru(II) complex 2 Ru(2) — 3 candidates
GT: {"S": 2, "O": 2, "N": 3} Pred: {"O": 3, "S": 2, "N": 2}
0.75
Candidates → Complex detail MOL 3D Viewer
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