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
#6636 7 Os(3) — 2 candidates
GT: {"S": 1, "O": 1, "N": 3} Pred: {"S": 2, "N": 1}
0.33
Candidates → Complex detail MOL 3D Viewer
#6816 9 Rh(3) — 2 candidates
GT: {"O": 1, "N": 3} Pred: {"O": 3, "N": 1}
0.33
Candidates → Complex detail MOL 3D Viewer
#6817 10 Rh(3) — 2 candidates
GT: {"O": 1, "N": 3} Pred: {"O": 3, "N": 1}
0.33
Candidates → Complex detail MOL 3D Viewer
#6818 11 Rh(3) — 2 candidates
GT: {"O": 1, "N": 3} Pred: {"O": 3, "N": 1}
0.33
Candidates → Complex detail MOL 3D Viewer
#6819 12 Rh(3) — 2 candidates
GT: {"O": 1, "N": 3} Pred: {"O": 3, "N": 1}
0.33
Candidates → Complex detail MOL 3D Viewer
#6820 13 Rh(3) — 2 candidates
GT: {"O": 1, "N": 3} Pred: {"O": 3, "N": 1}
0.33
Candidates → Complex detail MOL 3D Viewer
#6892 Rh3,1c Rh(3) — 1 candidates
GT: {"N": 3} Pred: {"N": 1}
0.33
Candidates → Complex detail MOL 3D Viewer
#6987 A1 Rh(3) — 3 candidates
GT: {"S": 3, "O": 3} Pred: {"S": 6}
0.33
Candidates → Complex detail MOL 3D Viewer
#6989 A3 Rh(3) — 3 candidates
GT: {"S": 2, "O": 2, "N": 2} Pred: {"S": 5, "N": 1}
0.33
Candidates → Complex detail MOL 3D Viewer
#7008 Quercetin – based RhIII Rh(3) — 2 candidates
GT: {"O": 2} Pred: {"O": 6}
0.33
Candidates → Complex detail MOL 3D Viewer
#1336 M3R Ru(2) — 4 candidates
GT: {"N": 2, "O": 4, "S": 2} Pred: {"O": 14, "S": 3}
0.32
Candidates → Complex detail MOL 3D Viewer
#40 2a,[Ru(bpy)2p-NPIP]2+ Ru(2) — 3 candidates
GT: {"O": 1, "N": 5} Pred: {"N": 15}
0.31
Candidates → Complex detail MOL 3D Viewer
#42 3a,7,[Ru(phen)2p-NPIP]2+ Ru(2) — 3 candidates
GT: {"O": 1, "N": 5} Pred: {"N": 15}
0.31
Candidates → Complex detail MOL 3D Viewer
#414 Ru2 Ru(2) — 3 candidates
GT: {"O": 1, "N": 5} Pred: {"N": 15}
0.31
Candidates → Complex detail MOL 3D Viewer
#643 3 Ru(2) — 3 candidates
GT: {"S": 3, "N": 3, "P": 1, "O": 1} Pred: {"S": 9, "P": 2, "O": 2}
0.31
Candidates → Complex detail MOL 3D Viewer
#644 4 Ru(2) — 3 candidates
GT: {"S": 3, "N": 3, "P": 1, "O": 1} Pred: {"S": 9, "P": 2, "O": 2}
0.31
Candidates → Complex detail MOL 3D Viewer
#1360 [Ru(dip)2(bpyC6-NitroIm)]2+ Ru(2) — 3 candidates
GT: {"O": 1, "N": 5} Pred: {"N": 15}
0.31
Candidates → Complex detail MOL 3D Viewer
#2379 3a Ru(3) — 4 candidates
GT: {"O": 4} Pred: {"O": 13}
0.31
Candidates → Complex detail MOL 3D Viewer
#2380 3b Ru(3) — 4 candidates
GT: {"O": 4} Pred: {"O": 13}
0.31
Candidates → Complex detail MOL 3D Viewer
#2430 RuCl2(PTA)4 (1) Ru(2) — 4 candidates
GT: {"N": 4, "P": 1} Pred: {"P": 9, "N": 3}
0.31
Candidates → Complex detail MOL 3D Viewer
#2431 RuBr2(PTA)4 (3) Ru(2) — 4 candidates
GT: {"N": 4, "P": 1} Pred: {"P": 9, "N": 3}
0.31
Candidates → Complex detail MOL 3D Viewer
#2805 Ru7 Ru(2) — 3 candidates
GT: {"N": 4, "O": 1} Pred: {"N": 9, "S": 3}
0.31
Candidates → Complex detail MOL 3D Viewer
#2806 Ru8 Ru(2) — 3 candidates
GT: {"N": 4, "O": 1} Pred: {"N": 9, "S": 3}
0.31
Candidates → Complex detail MOL 3D Viewer
#2883 1 Ru(2) — 3 candidates
GT: {"N": 4, "O": 1} Pred: {"N": 12}
0.31
Candidates → Complex detail MOL 3D Viewer
#674 [Ru(DOX) (PPh3)2Cl2] Ru(3) — 3 candidates
GT: {"O": 1, "N": 1, "P": 2} Pred: {"O": 6, "P": 3}
0.30
Candidates → Complex detail MOL 3D Viewer
#1199 Ru1 Ru(2) — 5 candidates
GT: {"N": 6} Pred: {"N": 20}
0.30
Candidates → Complex detail MOL 3D Viewer
#2704 Ru(tfac)3 Ru(3) — 3 candidates
GT: {"O": 3} Pred: {"O": 10}
0.30
Candidates → Complex detail MOL 3D Viewer
#4334 6d Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 20}
0.30
Candidates → Complex detail MOL 3D Viewer
#122 Ru2 Ru(2) — 4 candidates
GT: {"O": 1, "N": 2, "P": 2} Pred: {"O": 8, "N": 6, "P": 3}
0.29
Candidates → Complex detail MOL 3D Viewer
#123 Ru3 Ru(2) — 4 candidates
GT: {"O": 1, "N": 2, "P": 2} Pred: {"O": 8, "N": 6, "P": 3}
0.29
Candidates → Complex detail MOL 3D Viewer
#1650 (1) Ru(2) — 4 candidates
GT: {"O": 1, "N": 2, "P": 2} Pred: {"O": 8, "N": 6, "P": 3}
0.29
Candidates → Complex detail MOL 3D Viewer
#3054 1 Ru(2) — 4 candidates
GT: {"O": 1, "N": 2, "P": 2} Pred: {"O": 8, "N": 6, "P": 3}
0.29
Candidates → Complex detail MOL 3D Viewer
#3055 2 Ru(2) — 4 candidates
GT: {"N": 2, "O": 1, "P": 2} Pred: {"N": 8, "O": 6, "P": 3}
0.29
Candidates → Complex detail MOL 3D Viewer
#3056 3 Ru(2) — 4 candidates
GT: {"N": 2, "O": 1, "P": 2} Pred: {"N": 8, "O": 6, "P": 3}
0.29
Candidates → Complex detail MOL 3D Viewer
#436 8a Ru(2) — 2 candidates
GT: {"N": 5} Pred: {"O": 2, "N": 2}
0.29
Candidates → Complex detail MOL 3D Viewer
#437 8b Ru(2) — 2 candidates
GT: {"N": 5} Pred: {"O": 2, "N": 2}
0.29
Candidates → Complex detail MOL 3D Viewer
#439 8d Ru(2) — 2 candidates
GT: {"N": 5} Pred: {"O": 2, "N": 2}
0.29
Candidates → Complex detail MOL 3D Viewer
#440 8e Ru(2) — 2 candidates
GT: {"N": 5} Pred: {"O": 2, "N": 2}
0.29
Candidates → Complex detail MOL 3D Viewer
#441 8f Ru(2) — 2 candidates
GT: {"N": 5} Pred: {"O": 2, "N": 2}
0.29
Candidates → Complex detail MOL 3D Viewer
#986 Ru1 Ru(2) — 1 candidates
GT: {"N": 3, "O": 2, "P": 2} Pred: {"O": 1, "N": 1}
0.29
Candidates → Complex detail MOL 3D Viewer
#987 Ru2 Ru(2) — 1 candidates
GT: {"N": 3, "S": 1, "O": 1, "P": 2} Pred: {"N": 1, "S": 1}
0.29
Candidates → Complex detail MOL 3D Viewer
#989 Ru4 Ru(2) — 1 candidates
GT: {"N": 3, "S": 1, "O": 1, "P": 2} Pred: {"N": 1, "S": 1}
0.29
Candidates → Complex detail MOL 3D Viewer
#1106 6 Ru(2) — 1 candidates
GT: {"N": 2, "O": 3, "P": 2} Pred: {"O": 2}
0.29
Candidates → Complex detail MOL 3D Viewer
#1107 (1) Ru(2) — 4 candidates
GT: {"O": 2, "P": 2} Pred: {"O": 11, "P": 3}
0.29
Candidates → Complex detail MOL 3D Viewer
#1222 1 Ru(2) — 1 candidates
GT: {"N": 3, "S": 1, "O": 1, "P": 2} Pred: {"N": 1, "S": 1}
0.29
Candidates → Complex detail MOL 3D Viewer
#1223 2 Ru(2) — 1 candidates
GT: {"N": 3, "S": 1, "O": 1, "P": 2} Pred: {"S": 1, "N": 1}
0.29
Candidates → Complex detail MOL 3D Viewer
#1224 3 Ru(2) — 1 candidates
GT: {"N": 3, "S": 1, "O": 1, "P": 2} Pred: {"S": 1, "N": 1}
0.29
Candidates → Complex detail MOL 3D Viewer
#1447 4 Ru(2) — 1 candidates
GT: {"O": 3, "N": 2, "P": 2} Pred: {"O": 1, "N": 1}
0.29
Candidates → Complex detail MOL 3D Viewer
#1475 3 Ru(2) — 1 candidates
GT: {"N": 4, "O": 1, "P": 2} Pred: {"N": 2}
0.29
Candidates → Complex detail MOL 3D Viewer
#1476 4 Ru(2) — 1 candidates
GT: {"N": 4, "O": 1, "As": 2} Pred: {"N": 2}
0.29
Candidates → Complex detail MOL 3D Viewer
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