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
#1016 8 Ru(2) — 3 candidates
GT: {"N": 5, "P": 1, "O": 1} Pred: {"P": 3, "O": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#1017 9 Ru(2) — 3 candidates
GT: {"N": 5, "P": 1, "O": 1} Pred: {"P": 3, "O": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#1018 10 Ru(2) — 3 candidates
GT: {"N": 5, "P": 1, "O": 1} Pred: {"P": 3, "O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#1020 2 Ru(2) — 3 candidates
GT: {"N": 8} Pred: {"N": 13}
0.00
Candidates → Complex detail MOL 3D Viewer
#1021 3 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 15}
0.00
Candidates → Complex detail MOL 3D Viewer
#1022 4 Ru(2) — 3 candidates
GT: {"N": 6} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#1023 5 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#1024 [1]NO3 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#1025 [2]NO3 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#1026 [3]NO3 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#1027 [4]Cl Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#1028 [5]NO3 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 2, "O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#1029 [6]NO3 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#1030 1 Ru(2) — 2 candidates
GT: {"N": 4, "O": 3} Pred: {"O": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#1031 2 Ru(2) — 2 candidates
GT: {"N": 4, "O": 3} Pred: {"O": 1, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#1032 3 Ru(2) — 2 candidates
GT: {"N": 4, "O": 2} Pred: {"O": 1, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#1033 4 Ru(2) — 2 candidates
GT: {"N": 4, "O": 2} Pred: {"O": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#1034 5 Ru(2) — 2 candidates
GT: {"N": 5} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#1035 6 Ru(2) — 2 candidates
GT: {"N": 5} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#1037 2 Ru(2) — 2 candidates
GT: {"N": 7} Pred: {"N": 7}
0.00
Candidates → Complex detail MOL 3D Viewer
#1039 4 Ru(2) — 2 candidates
GT: {"N": 7} Pred: {"N": 7}
0.00
Candidates → Complex detail MOL 3D Viewer
#1040 5 Ru(2) — 2 candidates
GT: {"N": 6} Pred: {"N": 5}
0.00
Candidates → Complex detail MOL 3D Viewer
#1041 9b,1,3 Ru(2) — 2 candidates
GT: {"P": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#1042 4 Ru(2) — 2 candidates
GT: {"N": 1, "P": 2} Pred: {"O": 2, "P": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#1043 AH12,12 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#1044 AH54,16 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#1045 AH63,18 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#1046 AH65,26 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#1047 AH71,21 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#1048 AH78,33 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#1049 AH82 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#1050 AH108,22 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#1051 AH15,2,13 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#1052 HC11 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#1053 HC27 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#1054 RM175,2,7b,9,Ru-1 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#1055 TB10,4 Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#1056 TB45,1 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#1060 2 Ru(2) — 2 candidates
GT: {"O": 1, "P": 1} Pred: {"O": 1, "P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#1061 3 Ru(2) — 2 candidates
GT: {"P": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#1062 4,1 Ru(2) — 2 candidates
GT: {"P": 1} Pred: {"O": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#1067 5 Ru(2) — 3 candidates
GT: {"N": 5, "O": 1} Pred: {"N": 11}
0.00
Candidates → Complex detail MOL 3D Viewer
#1084 1 Ru(2) — 2 candidates
GT: {"N": 6} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#1085 2 Ru(2) — 2 candidates
GT: {"N": 6} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#1086 3 Ru(2) — 2 candidates
GT: {"N": 6} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#1102 (4) Ru(2) — 3 candidates
GT: {"O": 1, "P": 2, "N": 2} Pred: {"O": 6, "N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#1104 4 Ru(2) — 0 candidates
GT: {"O": 3, "N": 2, "P": 2} Pred: {}
0.00
Candidates → Complex detail MOL 3D Viewer
#1111 1 Ru(2) — 2 candidates
GT: {"O": 1} Pred: {"O": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#1112 2 Ru(2) — 2 candidates
GT: {"O": 1} Pred: {"O": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#1113 3 Ru(2) — 3 candidates
GT: {"N": 3, "P": 1, "O": 1} Pred: {"P": 3, "O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
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