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
#1641 Ru(4) Ru(2) — 3 candidates
GT: {"N": 4} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#1642 Ru(5) Ru(2) — 2 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#1643 1 Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#1644 2 Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#1645 Flavokawain A Ruthenium-p-Cymene Ru(2) — 2 candidates
GT: {"O": 1} Pred: {"O": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#1648 BzRuL Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#1649 HmbRuL Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#1655 K1 Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"S": 2, "N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#1656 K2 Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#1657 K3 Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 2, "S": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#1658 K4 Ru(2) — 2 candidates
GT: {"N": 3} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#1659 Ru-AFC Ru(2) — 2 candidates
GT: {"N": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#1660 Ru-AGC Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#1661 Ru-ATC Ru(2) — 2 candidates
GT: {"N": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#1662 2 Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 2, "O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#1663 3 Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#1664 4 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"O": 2, "N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#1665 Complex 4 Ru(2) — 3 candidates
GT: {"N": 5, "P": 1, "S": 2} Pred: {"P": 3, "S": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#1666 Complex 5 Ru(2) — 3 candidates
GT: {"N": 5, "P": 1, "S": 2} Pred: {"P": 3, "S": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#1667 Complex 6 Ru(2) — 3 candidates
GT: {"N": 2, "S": 2, "O": 3, "P": 1} Pred: {"S": 4, "P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#1668 Complex 7 Ru(2) — 3 candidates
GT: {"N": 2, "S": 2, "O": 2, "P": 1} Pred: {"S": 4, "P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#1669 Complex 8 Ru(2) — 3 candidates
GT: {"N": 2, "S": 2, "P": 1} Pred: {"S": 4, "P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#1670 1a Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#1671 1b ,1a,1b,1c Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"S": 1, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#1672 2a Ru(2) — 3 candidates
GT: {"N": 4, "P": 1} Pred: {"N": 6, "P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#1673 2b Ru(2) — 3 candidates
GT: {"N": 3, "P": 1} Pred: {"S": 2, "N": 2, "P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#1674 2c Ru(2) — 3 candidates
GT: {"N": 4, "P": 1} Pred: {"S": 2, "P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#1675 RuY Ru(2) — 3 candidates
GT: {"N": 7} Pred: {"N": 10}
0.00
Candidates → Complex detail MOL 3D Viewer
#1677 C I Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"O": 2, "N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#1678 C II Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"S": 2, "N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#1679 C III Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"O": 2, "N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#1680 C IV Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"S": 2, "N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#1681 4a Ru(2) — 2 candidates
GT: {"O": 1, "N": 1} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#1682 4b Ru(2) — 2 candidates
GT: {"O": 1, "N": 1} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#1683 Complex 1 ,Complex 1 Ru(2) — 2 candidates
GT: {"N": 2, "S": 2} Pred: {"S": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#1684 Complex 1,3n Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#1685 Complex 2 Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#1686 Complex 3 Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#1687 Complex 4 Ru(2) — 2 candidates
GT: {"O": 1, "N": 4} Pred: {"O": 1, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#1688 1 b Ru(2) — 2 candidates
GT: {"N": 1, "O": 1} Pred: {"O": 1, "S": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#1689 2 b Ru(2) — 3 candidates
GT: {"N": 4, "P": 1, "O": 1} Pred: {"P": 3, "O": 1, "S": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#1690 1 c Ru(2) — 2 candidates
GT: {"N": 1, "O": 1} Pred: {"O": 1, "S": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#1691 2 c Ru(2) — 3 candidates
GT: {"N": 4, "P": 1, "O": 1} Pred: {"P": 3, "O": 1, "S": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#1692 1 d Ru(2) — 2 candidates
GT: {"N": 1, "O": 1} Pred: {"S": 2, "O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#1693 2 d Ru(2) — 3 candidates
GT: {"N": 4, "P": 1, "O": 1} Pred: {"P": 3, "S": 2, "O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#1694 1 e Ru(2) — 2 candidates
GT: {"N": 1, "O": 1} Pred: {"S": 1, "O": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#1695 2 e Ru(2) — 3 candidates
GT: {"N": 4, "P": 1, "O": 1} Pred: {"P": 3, "S": 1, "O": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#1696 3[BF4],3[PF6],3[BPh4] Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#1697 4 Ru(2) — 2 candidates
GT: {"O": 1, "N": 1} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#1698 5[BF4] Ru(2) — 3 candidates
GT: {"O": 1, "N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
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