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
#3536 1 Ru(2) — 2 candidates
GT: {"N": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#3537 2 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"S": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#3538 3 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"S": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#3539 4 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"O": 1, "S": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#3540 Ru-dca Ru(2) — 3 candidates
GT: {"O": 1, "N": 2} Pred: {"O": 2, "N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#3553 Ru1 Ru(2) — 2 candidates
GT: {"N": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#3554 Ru2 Ru(2) — 2 candidates
GT: {"N": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#3555 Ru3 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#3556 Ru4 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#3557 Ru5 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#3558 1 Ru(2) — 2 candidates
GT: {"P": 2} Pred: {"P": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#3559 2 Ru(2) — 2 candidates
GT: {"P": 2} Pred: {"P": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#3560 RAPTMP(C) Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#3564 ole-Ru Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#3565 1 Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"S": 1, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#3572 Na[RuCl4Py2] Ru(3) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#3574 1A Ru(2) — 3 candidates
GT: {"N": 3, "P": 1, "O": 1} Pred: {"P": 3, "O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#3575 1B Ru(2) — 3 candidates
GT: {"N": 4, "P": 1, "O": 1} Pred: {"P": 3, "O": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#3576 2A Ru(2) — 3 candidates
GT: {"O": 1, "P": 1} Pred: {"O": 4, "P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#3577 2B Ru(2) — 3 candidates
GT: {"O": 1, "N": 1, "P": 1} Pred: {"O": 6, "P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#3578 2a Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"S": 1, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#3579 3a Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"S": 1, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#3580 4a Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#3581 5a Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"S": 2, "N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#3582 6a Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"S": 2, "N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#3583 7a Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"S": 2, "N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#3584 8a Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"S": 1, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#3591 5 (Br) Ru(2) — 2 candidates
GT: {"O": 1, "N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#3592 6 (I) Ru(2) — 2 candidates
GT: {"O": 1, "N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#3595 Ru(l-Val) (4) Ru(2) — 3 candidates
GT: {"N": 3, "O": 1, "P": 2} Pred: {"N": 7, "O": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#3599 Ru(l-Try) (8) Ru(2) — 3 candidates
GT: {"N": 3, "O": 1, "P": 2} Pred: {"O": 3, "N": 7}
0.00
Candidates → Complex detail MOL 3D Viewer
#3601 2 Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"O": 1, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#3607 1A Ru(2) — 2 candidates
GT: {"N": 1, "P": 1, "O": 1} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#3608 1Ru Ru(2) — 3 candidates
GT: {"N": 2, "P": 1} Pred: {"N": 6, "P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#3609 2Ru Ru(2) — 3 candidates
GT: {"P": 1, "N": 2} Pred: {"P": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#3610 3Ru Ru(2) — 3 candidates
GT: {"P": 1, "N": 2} Pred: {"P": 2, "N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#3611 4Ru Ru(2) — 3 candidates
GT: {"N": 2, "P": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#3612 5Ru Ru(2) — 3 candidates
GT: {"N": 4, "P": 1} Pred: {"N": 6, "P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#3613 6Ru Ru(2) — 3 candidates
GT: {"N": 4, "P": 1} Pred: {"N": 6, "P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#3614 7Ru Ru(2) — 3 candidates
GT: {"N": 6, "P": 1} Pred: {"N": 4, "P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#3615 8Ru Ru(2) — 3 candidates
GT: {"N": 6, "P": 1} Pred: {"N": 4, "P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#3616 1 Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#3617 2 Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"O": 1, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#3618 3 Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#3619 7 Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#3620 2 Ru(2) — 0 candidates
GT: {"O": 3, "N": 2} Pred: {}
0.00
Candidates → Complex detail MOL 3D Viewer
#3622 4 Ru(2) — 0 candidates
GT: {"O": 3, "N": 1} Pred: {}
0.00
Candidates → Complex detail MOL 3D Viewer
#3625 1 Ru(2) — 3 candidates
GT: {"N": 3, "P": 2, "O": 1} Pred: {"P": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#3631 Ru(pip) Ru(2) — 2 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#3632 Ru–bpy(1) Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
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