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
#521 3h Ru(2) — 2 candidates
GT: {"O": 1} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#522 3i,2aCym Ru(2) — 2 candidates
GT: {"O": 1} Pred: {"O": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#523 3j Ru(2) — 2 candidates
GT: {"O": 1} Pred: {"O": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#524 1a Ru(2) — 2 candidates
GT: {"O": 1} Pred: {"O": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#525 2a Ru(2) — 2 candidates
GT: {"O": 1} Pred: {"O": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#526 5a Ru(2) — 2 candidates
GT: {"O": 1, "N": 1} Pred: {"O": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#527 6a Ru(2) — 2 candidates
GT: {"O": 1, "N": 1} Pred: {"O": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#528 1a Ru(2) — 2 candidates
GT: {"O": 1} Pred: {"O": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#529 2a,3a Ru(2) — 2 candidates
GT: {"N": 1, "S": 1} Pred: {"S": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#530 2b Ru(2) — 2 candidates
GT: {"N": 1, "S": 1} Pred: {"S": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#531 2c Ru(2) — 2 candidates
GT: {"S": 1, "N": 1} Pred: {"S": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#532 2d Ru(2) — 2 candidates
GT: {"N": 1, "S": 1} Pred: {"S": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#533 2e Ru(2) — 2 candidates
GT: {"N": 1, "S": 1} Pred: {"S": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#534 1,30,Ru1 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#535 2 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#536 3 Ru(2) — 2 candidates
GT: {"N": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#537 4 Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#538 5 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#539 1 Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#540 2 Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#541 3 Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#542 4 Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#546 5 Ru(2) — 3 candidates
GT: {"N": 7, "P": 1} Pred: {"N": 6, "P": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#549 Ru1 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 7}
0.00
Candidates → Complex detail MOL 3D Viewer
#550 Ru2 Ru(2) — 3 candidates
GT: {"O": 1, "N": 4} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#552 Ru0,Ru1 Ru(2) — 3 candidates
GT: {"N": 8} Pred: {"N": 9}
0.00
Candidates → Complex detail MOL 3D Viewer
#553 Compound 7 Ru(2) — 2 candidates
GT: {"N": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#554 Ru1 Ru(2) — 3 candidates
GT: {"N": 8} Pred: {"N": 10}
0.00
Candidates → Complex detail MOL 3D Viewer
#558 1 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 10}
0.00
Candidates → Complex detail MOL 3D Viewer
#559 2 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 7}
0.00
Candidates → Complex detail MOL 3D Viewer
#560 3 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 10}
0.00
Candidates → Complex detail MOL 3D Viewer
#561 H1 Ru(2) — 2 candidates
GT: {"O": 1, "N": 1} Pred: {"O": 2, "S": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#562 H2 Ru(2) — 2 candidates
GT: {"O": 1, "N": 1} Pred: {"O": 2, "S": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#563 H3 Ru(2) — 2 candidates
GT: {"O": 1, "N": 1} Pred: {"O": 2, "S": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#564 N1 Ru(2) — 3 candidates
GT: {"O": 1, "N": 3} Pred: {"O": 3, "S": 3, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#565 N4 Ru(2) — 3 candidates
GT: {"O": 1, "N": 3} Pred: {"O": 3, "S": 3, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#566 P1 Ru(2) — 3 candidates
GT: {"N": 4, "P": 1, "O": 1} Pred: {"P": 3, "O": 2, "S": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#567 S1 Ru(2) — 3 candidates
GT: {"O": 1, "N": 3} Pred: {"O": 3, "S": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#568 S2 Ru(2) — 3 candidates
GT: {"O": 1, "N": 3} Pred: {"O": 3, "S": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#569 P3 Ru(2) — 3 candidates
GT: {"N": 4, "P": 1, "O": 1} Pred: {"P": 3, "O": 2, "S": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#570 Complex 1 Ru(2) — 2 candidates
GT: {"O": 1, "N": 2} Pred: {"O": 2, "N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#571 Complex 2 Ru(2) — 2 candidates
GT: {"O": 1, "N": 2} Pred: {"O": 1, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#572 Complex 5 Ru(2) — 2 candidates
GT: {"O": 1, "N": 2} Pred: {"N": 2, "O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#573 Complex 6 Ru(2) — 2 candidates
GT: {"O": 1, "N": 2} Pred: {"N": 2, "O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#574 Complex 9 Ru(2) — 2 candidates
GT: {"O": 1, "N": 2} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#575 Complex 10 Ru(2) — 2 candidates
GT: {"O": 1, "N": 2} Pred: {"O": 1, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#576 Ru1,Ru3 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#577 Ru2,Ru4 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#578 Ru5 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#579 Ru6 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
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