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
#542 4 Ru(2) — 18 candidates
GT: {"O": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#545 4 Ru(2) — 30 candidates
GT: {"O": 2, "P": 1} Pred: {"N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#547 6 Ru(2) — 30 candidates
GT: {"O": 1, "P": 1} Pred: {"N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#548 7 Ru(2) — 30 candidates
GT: {"O": 1, "P": 1} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#553 Compound 7 Ru(2) — 30 candidates
GT: {"O": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#561 H1 Ru(2) — 30 candidates
GT: {"O": 1, "S": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#562 H2 Ru(2) — 30 candidates
GT: {"O": 1, "S": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#563 H3 Ru(2) — 30 candidates
GT: {"O": 1, "S": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#564 N1 Ru(2) — 18 candidates
GT: {"O": 1, "S": 1} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#566 P1 Ru(2) — 21 candidates
GT: {"N": 1, "O": 1, "S": 1} Pred: {"P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#569 P3 Ru(2) — 30 candidates
GT: {"N": 1, "O": 1, "S": 1} Pred: {"P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#570 Complex 1 Ru(2) — 30 candidates
GT: {"O": 1, "N": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#577 Ru2,Ru4 Ru(2) — 30 candidates
GT: {"N": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#579 Ru6 Ru(2) — 30 candidates
GT: {"N": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#580 Ru7 Ru(2) — 30 candidates
GT: {"N": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#585 CPI-Ru Ru(2) — 30 candidates
GT: {"O": 1} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#586 Ru1 Ru(2) — 30 candidates
GT: {"O": 1} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#587 Ru2 Ru(2) — 30 candidates
GT: {"O": 1} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#602 Ru2S Ru(2) — 30 candidates
GT: {"O": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#604 Ru4S Ru(2) — 30 candidates
GT: {"O": 2} Pred: {"N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#605 Ru5S Ru(2) — 30 candidates
GT: {"O": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#606 Ru6S Ru(2) — 30 candidates
GT: {"O": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#610 RUSCO-1 Ru(2) — 28 candidates
GT: {"O": 1} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#611 RUSCO-2 Ru(2) — 28 candidates
GT: {"O": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#612 RUSCO-3 Ru(2) — 30 candidates
GT: {"O": 1} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#613 RUSCO-4 Ru(2) — 30 candidates
GT: {"O": 1} Pred: {"N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#614 RUSCO-5 Ru(2) — 30 candidates
GT: {"O": 1} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#615 UNICAM-1 Ru(2) — 10 candidates
GT: {"Cl": 1} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#616 KQ-Ru Ru(2) — 30 candidates
GT: {"O": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#618 RT152 Ru(2) — 30 candidates
GT: {"O": 5, "N": 3, "P": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#619 PMC79,Ru1 Ru(2) — 30 candidates
GT: {"P": 1} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#621 RuCH Ru(2) — 30 candidates
GT: {"N": 2, "O": 4} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#622 RuBCH Ru(2) — 30 candidates
GT: {"N": 2, "O": 4} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#629 Ru2 Ru(2) — 30 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#633 Ru-TPE-OH Ru(2) — 30 candidates
GT: {"O": 1} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#634 Ru-TPE-PPh3 Ru(2) — 30 candidates
GT: {"P": 1} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#639 Ru1 Ru(2) — 30 candidates
GT: {"P": 2, "O": 2} Pred: {"N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#643 3 Ru(2) — 30 candidates
GT: {"N": 1, "O": 4} Pred: {"P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#644 4 Ru(2) — 30 candidates
GT: {"N": 1, "O": 4} Pred: {"P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#654 1 Ru(2) — 30 candidates
GT: {"N": 1, "Cl": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#655 2 Ru(2) — 30 candidates
GT: {"N": 2, "Cl": 2} Pred: {"P": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#658 1 Ru(2) — 30 candidates
GT: {"Cl": 2} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#659 2 Ru(2) — 30 candidates
GT: {"Cl": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#660 3 Ru(2) — 30 candidates
GT: {"Cl": 2} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#661 Complex A Ru(2) — 30 candidates
GT: {"N": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#667 Ru5 Ru(2) — 30 candidates
GT: {"N": 5, "S": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#668 α-13 Ru(2) — 30 candidates
GT: {"O": 4} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#673 16 Ru(2) — 30 candidates
GT: {"O": 7, "N": 4} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#675 4a Ru(2) — 30 candidates
GT: {"O": 1, "N": 1} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#676 4b Ru(2) — 30 candidates
GT: {"O": 1, "N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
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