homecomplexesD-MPNN

D-MPNN Donor Prediction

Single-ligand (939) — 939 complexes
rdmetallics.net (363)Sequential multi-lig (7058)Single-ligand (939)⇄ Compare
64
Exact (1.0)
451
Partial (>0)
424
No match
0.260
Mean score
Reset
#465 6 Ru(2) — 30 candidates
GT: {"O": 4, "S": 1, "P": 1} Pred: {"O": 1, "N": 1}
0.14
Candidates → Complex detail MOL 3D Viewer
#779 Ru5 Ru(2) — 30 candidates
GT: {"N": 1, "O": 2} Pred: {"N": 5}
0.14
Candidates → Complex detail MOL 3D Viewer
#6720 Rh1 Rh(3) — 30 candidates
GT: {"O": 3, "S": 1, "N": 1, "P": 1} Pred: {"N": 2}
0.14
Candidates → Complex detail MOL 3D Viewer
#213 10 Ru(2) — 30 candidates
GT: {"Cl": 1, "N": 7} Pred: {"N": 1}
0.12
Candidates → Complex detail MOL 3D Viewer
#390 5 Ru(2) — 30 candidates
GT: {"N": 3, "O": 4, "P": 1} Pred: {"N": 1}
0.12
Candidates → Complex detail MOL 3D Viewer
#4836 1b Ir(3) — 30 candidates
GT: {"N": 8} Pred: {"N": 1}
0.12
Candidates → Complex detail MOL 3D Viewer
#588 RuU Ru(3) — 11 candidates
GT: {"N": 4, "O": 5} Pred: {"O": 1}
0.11
Candidates → Complex detail MOL 3D Viewer
#800 6 Ru(2) — 30 candidates
GT: {"F": 2, "N": 6} Pred: {"P": 1, "N": 1}
0.11
Candidates → Complex detail MOL 3D Viewer
#595 I Ru(2) — 24 candidates
GT: {"O": 7, "N": 3} Pred: {"N": 1}
0.10
Candidates → Complex detail MOL 3D Viewer
#596 II Ru(2) — 24 candidates
GT: {"O": 7, "N": 3} Pred: {"N": 1}
0.10
Candidates → Complex detail MOL 3D Viewer
#701 3 Ru(3) — 25 candidates
GT: {"O": 7, "N": 3} Pred: {"O": 1}
0.10
Candidates → Complex detail MOL 3D Viewer
#702 4 Ru(3) — 25 candidates
GT: {"O": 7, "N": 3} Pred: {"O": 1}
0.10
Candidates → Complex detail MOL 3D Viewer
#672 β-15 Ru(2) — 30 candidates
GT: {"O": 7, "N": 4} Pred: {"N": 1}
0.09
Candidates → Complex detail MOL 3D Viewer
#837 Ru(H2dtpa) (H2O) Ru(3) — 30 candidates
GT: {"O": 11} Pred: {"O": 1}
0.09
Candidates → Complex detail MOL 3D Viewer
#617 KS-Ru Ru(2) — 30 candidates
GT: {"N": 4, "O": 8} Pred: {"N": 1}
0.08
Candidates → Complex detail MOL 3D Viewer
#3 1a Ru(2) — 15 candidates
GT: {"N": 2} Pred: {"P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4 1b Ru(2) — 0 candidates
GT: {"N": 1, "P": 1} Pred:
0.00
Candidates → Complex detail MOL 3D Viewer
#5 1c Ru(2) — 0 candidates
GT: {"N": 1} Pred:
0.00
Candidates → Complex detail MOL 3D Viewer
#6 1e Ru(2) — 0 candidates
GT: {"N": 1} Pred:
0.00
Candidates → Complex detail MOL 3D Viewer
#7 2a Ru(2) — 0 candidates
GT: {"N": 2} Pred:
0.00
Candidates → Complex detail MOL 3D Viewer
#8 2b Ru(2) — 0 candidates
GT: {"N": 1, "P": 1} Pred:
0.00
Candidates → Complex detail MOL 3D Viewer
#9 2c Ru(2) — 0 candidates
GT: {"N": 1} Pred:
0.00
Candidates → Complex detail MOL 3D Viewer
#10 2e Ru(2) — 0 candidates
GT: {"N": 1} Pred:
0.00
Candidates → Complex detail MOL 3D Viewer
#11 3 Ru(2) — 0 candidates
GT: {"N": 1, "P": 1} Pred:
0.00
Candidates → Complex detail MOL 3D Viewer
#12 4 Ru(2) — 0 candidates
GT: {"N": 1, "P": 1} Pred:
0.00
Candidates → Complex detail MOL 3D Viewer
#13 5,5' Ru(2) — 0 candidates
GT: {"N": 2, "P": 1} Pred:
0.00
Candidates → Complex detail MOL 3D Viewer
#14 6 Ru(2) — 0 candidates
GT: {"N": 2, "P": 1} Pred:
0.00
Candidates → Complex detail MOL 3D Viewer
#15 1 Ru(2) — 0 candidates
GT: {"Cl": 2} Pred:
0.00
Candidates → Complex detail MOL 3D Viewer
#16 2 Ru(2) — 0 candidates
GT: {"Cl": 2} Pred:
0.00
Candidates → Complex detail MOL 3D Viewer
#17 3 Ru(2) — 0 candidates
GT: {"Cl": 2} Pred:
0.00
Candidates → Complex detail MOL 3D Viewer
#18 4 Ru(2) — 0 candidates
GT: {"O": 1, "S": 1} Pred:
0.00
Candidates → Complex detail MOL 3D Viewer
#20 6 Ru(2) — 30 candidates
GT: {"O": 1, "S": 1} Pred: {"P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#23 9 Ru(2) — 30 candidates
GT: {"O": 2, "S": 1} Pred: {"P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#24 1 · Cl Ru(2) — 13 candidates
GT: {"Cl": 1} Pred: {"P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#25 2 · Cl Ru(2) — 18 candidates
GT: {"Cl": 1} Pred: {"P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#26 3 · Cl Ru(2) — 27 candidates
GT: {"Cl": 1} Pred: {"P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#27 4 · Cl Ru(2) — 11 candidates
GT: {"Cl": 1} Pred: {"P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#28 RAPTA-C,RAPTA-C,1,5,10 Ru(2) — 5 candidates
GT: N:1 Pred: P:1
0.00
Candidates → Complex detail MOL 3D Viewer
#29 RAPTAMe+-C.2 Ru(2) — 9 candidates
GT: {"N": 1} Pred: {"P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#30 RAPTA-T,3,4 Ru(2) — 24 candidates
GT: {"N": 1} Pred: {"P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#31 RAPTAMe+-T,4 Ru(2) — 23 candidates
GT: {"N": 1} Pred: {"P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#32 RAPTA-B,5 Ru(2) — 15 candidates
GT: {"N": 1} Pred: {"P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#33 RAPTA-BC,6 Ru(2) — 23 candidates
GT: {"N": 1} Pred: {"P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#34 RAPTA-BI,7 Ru(2) — 21 candidates
GT: {"N": 1} Pred: {"P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#35 RAPTA-CO2Et,8 Ru(2) — 23 candidates
GT: {"N": 1, "O": 1} Pred: {"P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#36 RAPTA-H,9 Ru(2) — 8 candidates
GT: {"N": 1} Pred: {"P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#47 2a Ru(2) — 30 candidates
GT: {"O": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#49 5a Ru(2) — 30 candidates
GT: {"O": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#50 5b Ru(2) — 30 candidates
GT: {"O": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#55 1c Ru(2) — 17 candidates
GT: {"O": 6} Pred: {"S": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
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