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
#6881 (PPh3)3RhCl Rh(1) — 3 candidates
GT: {"P": 3} Pred: {"P": 6}
0.50
Candidates → Complex detail MOL 3D Viewer
#6926 3,9 Rh(3) — 2 candidates
GT: {"S": 3, "N": 4} Pred: {"S": 6, "N": 2}
0.50
Candidates → Complex detail MOL 3D Viewer
#6928 5,10 Rh(3) — 2 candidates
GT: {"S": 3, "N": 4} Pred: {"S": 6, "N": 2}
0.50
Candidates → Complex detail MOL 3D Viewer
#6929 6,7 Rh(3) — 2 candidates
GT: {"S": 3, "N": 4} Pred: {"S": 6, "N": 2}
0.50
Candidates → Complex detail MOL 3D Viewer
#6973 3 Rh(3) — 2 candidates
GT: {"S": 3, "N": 2} Pred: {"S": 6, "N": 1}
0.50
Candidates → Complex detail MOL 3D Viewer
#6994 5 Rh(3) — 2 candidates
GT: {"S": 4} Pred: {"S": 8}
0.50
Candidates → Complex detail MOL 3D Viewer
#6997 Rh2 Rh(3) — 2 candidates
GT: {"N": 5} Pred: {"N": 3, "O": 1}
0.50
Candidates → Complex detail MOL 3D Viewer
#6999 Rh4 Rh(3) — 2 candidates
GT: {"O": 1, "N": 4} Pred: {"O": 2, "N": 2}
0.50
Candidates → Complex detail MOL 3D Viewer
#7000 Rh5 Rh(3) — 2 candidates
GT: {"N": 5} Pred: {"N": 3, "O": 1}
0.50
Candidates → Complex detail MOL 3D Viewer
#7002 Rh8 Rh(3) — 2 candidates
GT: {"N": 5} Pred: {"N": 3, "O": 1}
0.50
Candidates → Complex detail MOL 3D Viewer
#7003 Rh9 Rh(3) — 2 candidates
GT: {"N": 5} Pred: {"N": 3, "O": 1}
0.50
Candidates → Complex detail MOL 3D Viewer
#7004 Rh10 Rh(3) — 2 candidates
GT: {"N": 5} Pred: {"N": 3, "O": 1}
0.50
Candidates → Complex detail MOL 3D Viewer
#7046 1 Rh(3) — 3 candidates
GT: {"O": 3, "N": 3} Pred: {"O": 6, "N": 6}
0.50
Candidates → Complex detail MOL 3D Viewer
#136 1 Ru(2) — 4 candidates
GT: {"N": 8} Pred: {"N": 17}
0.47
Candidates → Complex detail MOL 3D Viewer
#3450 [Ru(pymS)₂(PPh₃)₂] (4) Ru(2) — 4 candidates
GT: {"S": 2, "N": 4, "P": 2} Pred: {"S": 7, "N": 7, "P": 3}
0.47
Candidates → Complex detail MOL 3D Viewer
#616 KQ-Ru Ru(2) — 3 candidates
GT: {"N": 7} Pred: {"O": 3, "N": 12}
0.47
Candidates → Complex detail MOL 3D Viewer
#941 1 Ru(2) — 3 candidates
GT: {"N": 3, "S": 1, "O": 1, "P": 2} Pred: {"O": 3, "N": 7, "S": 3, "P": 2}
0.47
Candidates → Complex detail MOL 3D Viewer
#942 2 Ru(2) — 3 candidates
GT: {"S": 1, "N": 3, "O": 1, "P": 2} Pred: {"S": 3, "N": 7, "O": 3, "P": 2}
0.47
Candidates → Complex detail MOL 3D Viewer
#1189 [1]Cl Ru(2) — 3 candidates
GT: {"P": 1, "S": 1, "N": 6} Pred: {"S": 6, "N": 8}
0.47
Candidates → Complex detail MOL 3D Viewer
#3597 Ru(l-Lys) (6) Ru(2) — 3 candidates
GT: {"N": 4, "O": 1, "P": 2} Pred: {"O": 3, "N": 10, "P": 2}
0.47
Candidates → Complex detail MOL 3D Viewer
#39 1c Ru(2) — 3 candidates
GT: {"N": 5, "O": 1} Pred: {"N": 12, "O": 1}
0.46
Candidates → Complex detail MOL 3D Viewer
#51 1a Ru(2) — 4 candidates
GT: {"S": 2, "O": 4} Pred: {"O": 10, "S": 3}
0.46
Candidates → Complex detail MOL 3D Viewer
#402 Ru-PIP,1 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 13}
0.46
Candidates → Complex detail MOL 3D Viewer
#551 Ru3 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 13}
0.46
Candidates → Complex detail MOL 3D Viewer
#642 2 Ru(2) — 3 candidates
GT: {"S": 4, "O": 2} Pred: {"S": 11, "O": 2}
0.46
Candidates → Complex detail MOL 3D Viewer
#782 Ru2 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 13}
0.46
Candidates → Complex detail MOL 3D Viewer
#1103 [Ru(L1)2]2+ Ru(2) — 2 candidates
GT: {"N": 6} Pred: {"N": 13}
0.46
Candidates → Complex detail MOL 3D Viewer
#1232 4 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 13}
0.46
Candidates → Complex detail MOL 3D Viewer
#1243 2 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 13}
0.46
Candidates → Complex detail MOL 3D Viewer
#1244 3 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 13}
0.46
Candidates → Complex detail MOL 3D Viewer
#1334 M1R Ru(2) — 4 candidates
GT: {"O": 4, "S": 2} Pred: {"O": 10, "S": 3}
0.46
Candidates → Complex detail MOL 3D Viewer
#1337 M4R Ru(2) — 4 candidates
GT: {"S": 2, "O": 4} Pred: {"O": 10, "S": 3}
0.46
Candidates → Complex detail MOL 3D Viewer
#1416 4 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 13}
0.46
Candidates → Complex detail MOL 3D Viewer
#1489 3 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 13}
0.46
Candidates → Complex detail MOL 3D Viewer
#1505 4 Ru(2) — 4 candidates
GT: {"N": 6} Pred: {"N": 13}
0.46
Candidates → Complex detail MOL 3D Viewer
#1525 1 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 13}
0.46
Candidates → Complex detail MOL 3D Viewer
#1528 4 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 13}
0.46
Candidates → Complex detail MOL 3D Viewer
#1548 [Ru(DMP)2(DA)2](ClO4)2 Ru(2) — 4 candidates
GT: {"N": 6} Pred: {"N": 13}
0.46
Candidates → Complex detail MOL 3D Viewer
#1557 4 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 13}
0.46
Candidates → Complex detail MOL 3D Viewer
#1881 1 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 13}
0.46
Candidates → Complex detail MOL 3D Viewer
#2052 4 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 13}
0.46
Candidates → Complex detail MOL 3D Viewer
#2420 trans-[Ru(Hmel)2(dmso)2] Ru(2) — 4 candidates
GT: {"S": 1, "O": 2, "N": 3} Pred: {"O": 7, "S": 3, "N": 3}
0.46
Candidates → Complex detail MOL 3D Viewer
#2719 [Ru(DMP)2(CA)2](ClO4)2 Ru(2) — 4 candidates
GT: {"N": 6} Pred: {"N": 13}
0.46
Candidates → Complex detail MOL 3D Viewer
#2755 2 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 13}
0.46
Candidates → Complex detail MOL 3D Viewer
#2787 RBB Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 13}
0.46
Candidates → Complex detail MOL 3D Viewer
#2866 1 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 13}
0.46
Candidates → Complex detail MOL 3D Viewer
#2867 2 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 13}
0.46
Candidates → Complex detail MOL 3D Viewer
#2884 2 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 13}
0.46
Candidates → Complex detail MOL 3D Viewer
#2969 2,3 Ru(2) — 4 candidates
GT: {"N": 5, "P": 1} Pred: {"P": 7, "N": 6}
0.46
Candidates → Complex detail MOL 3D Viewer
#3362 2 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 13}
0.46
Candidates → Complex detail MOL 3D Viewer
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