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
#3634 2 Ru(3) — 3 candidates
GT: {"S": 2, "N": 4} Pred: {"S": 11}
0.13
Candidates → Complex detail MOL 3D Viewer
#1342 27 Ru(3) — 2 candidates
GT: {"N": 6} Pred: {"S": 2, "N": 1}
0.12
Candidates → Complex detail MOL 3D Viewer
#2129 2 Ru(2) — 1 candidates
GT: {"N": 3, "O": 2, "P": 2} Pred: {"O": 1, "S": 1}
0.12
Candidates → Complex detail MOL 3D Viewer
#2220 3 Ru(2) — 1 candidates
GT: {"N": 4, "S": 1, "O": 1, "P": 2} Pred: {"S": 1}
0.12
Candidates → Complex detail MOL 3D Viewer
#6245 1-Et-NH2 Re(1) — 1 candidates
GT: {"N": 5, "O": 3} Pred: {"N": 1}
0.12
Candidates → Complex detail MOL 3D Viewer
#6247 3-Et-NH2 Re(1) — 1 candidates
GT: {"N": 5, "O": 3} Pred: {"N": 1}
0.12
Candidates → Complex detail MOL 3D Viewer
#6355 1a Re(2) — 1 candidates
GT: {"N": 5, "O": 3} Pred: {"N": 1}
0.12
Candidates → Complex detail MOL 3D Viewer
#6357 1d Re(2) — 1 candidates
GT: {"N": 5, "O": 3} Pred: {"N": 1}
0.12
Candidates → Complex detail MOL 3D Viewer
#6361 3a Re(2) — 1 candidates
GT: {"N": 5, "O": 3} Pred: {"N": 1}
0.12
Candidates → Complex detail MOL 3D Viewer
#6363 3d Re(2) — 1 candidates
GT: {"N": 5, "O": 3} Pred: {"N": 1}
0.12
Candidates → Complex detail MOL 3D Viewer
#6037 IrL2 Ir(3) — 3 candidates
GT: {"N": 7} Pred: {"O": 5, "N": 1}
0.08
Candidates → Complex detail MOL 3D Viewer
#6041 IrL6 Ir(3) — 3 candidates
GT: {"N": 7} Pred: {"O": 5, "N": 1}
0.08
Candidates → Complex detail MOL 3D Viewer
#6043 IrL8 Ir(3) — 3 candidates
GT: {"N": 7} Pred: {"O": 5, "N": 1}
0.08
Candidates → Complex detail MOL 3D Viewer
#1 5 Ru(2) — 3 candidates
GT: {"N": 5, "P": 1} Pred: {"N": 5, "P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#2 Ru-Cur,7,[(η6-p-Cymene) Ru(Curc)Cl],Ru‐Cur Ru(2) — 2 candidates
GT: {"O": 1} Pred: {"O": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#13 5,5' Ru(2) — 4 candidates
GT: {"N": 5, "P": 1} Pred: {"P": 6, "N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#15 1 Ru(2) — 2 candidates
GT: {"P": 1} Pred: {"P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#16 2 Ru(2) — 2 candidates
GT: {"P": 1} Pred: {"P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#17 3 Ru(2) — 2 candidates
GT: {"P": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#18 4 Ru(2) — 2 candidates
GT: {"P": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#19 5 Ru(2) — 2 candidates
GT: {"P": 1} Pred: {"O": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#20 6 Ru(2) — 2 candidates
GT: {"P": 1} Pred: {"P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#21 7 Ru(2) — 2 candidates
GT: {"P": 1} Pred: {"P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#22 8 Ru(2) — 2 candidates
GT: {"P": 1} Pred: {"O": 1, "P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#23 9 Ru(2) — 2 candidates
GT: {"P": 1} Pred: {"O": 1, "P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#24 1 · Cl Ru(2) — 2 candidates
GT: {"N": 3, "P": 1} Pred: {"P": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#25 2 · Cl Ru(2) — 2 candidates
GT: {"N": 3, "P": 1} Pred: {"P": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#26 3 · Cl Ru(2) — 2 candidates
GT: {"N": 3, "P": 1} Pred: {"P": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#27 4 · Cl Ru(2) — 2 candidates
GT: {"N": 3, "P": 1} Pred: {"P": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#28 RAPTA-C,RAPTA-C,1,5,10 Ru(2) — 2 candidates
GT: {"N": 3, "P": 1} Pred: {"P": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#29 RAPTAMe+-C.2 Ru(2) — 2 candidates
GT: {"N": 2, "P": 1} Pred: {"P": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#30 RAPTA-T,3,4 Ru(2) — 2 candidates
GT: {"N": 3, "P": 1} Pred: {"P": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#31 RAPTAMe+-T,4 Ru(2) — 2 candidates
GT: {"N": 2, "P": 1} Pred: {"P": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#32 RAPTA-B,5 Ru(2) — 2 candidates
GT: {"N": 3, "P": 1} Pred: {"P": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#34 RAPTA-BI,7 Ru(2) — 2 candidates
GT: {"N": 4, "P": 1} Pred: {"P": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#35 RAPTA-CO2Et,8 Ru(2) — 2 candidates
GT: {"N": 3, "P": 1, "O": 2} Pred: {"P": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#36 RAPTA-H,9 Ru(2) — 2 candidates
GT: {"N": 3, "P": 1} Pred: {"P": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#45 1,2 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 5}
0.00
Candidates → Complex detail MOL 3D Viewer
#47 2a Ru(2) — 2 candidates
GT: {"O": 1, "N": 1} Pred: {"O": 2, "N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#48 2b Ru(2) — 2 candidates
GT: {"O": 1, "N": 1} Pred: {"O": 2, "N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#49 5a Ru(2) — 2 candidates
GT: {"O": 1, "N": 1} Pred: {"N": 2, "O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#50 5b Ru(2) — 2 candidates
GT: {"O": 1, "N": 1} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#58 1 Ru(2) — 3 candidates
GT: {"S": 2, "O": 2, "N": 3} Pred: {"O": 3, "S": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#59 2 Ru(3) — 2 candidates
GT: {"S": 1, "O": 1, "N": 3} Pred: {"S": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#60 Ru1 Ru(2) — 5 candidates
GT: {"N": 6} Pred: {"N": 15}
0.00
Candidates → Complex detail MOL 3D Viewer
#61 Ru2 Ru(2) — 4 candidates
GT: {"N": 6} Pred: {"N": 11}
0.00
Candidates → Complex detail MOL 3D Viewer
#62 Ru3 Ru(2) — 4 candidates
GT: {"N": 6} Pred: {"N": 12}
0.00
Candidates → Complex detail MOL 3D Viewer
#63 Ru4 Ru(2) — 4 candidates
GT: {"N": 6} Pred: {"N": 11}
0.00
Candidates → Complex detail MOL 3D Viewer
#64 Ru5 Ru(2) — 5 candidates
GT: {"N": 6} Pred: {"N": 15}
0.00
Candidates → Complex detail MOL 3D Viewer
#65 Ru6 Ru(2) — 4 candidates
GT: {"N": 6} Pred: {"N": 11}
0.00
Candidates → Complex detail MOL 3D Viewer
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