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
#4384 RuL1 Ru(3) — 2 candidates
GT: {"O": 4, "N": 4} Pred: {"N": 3, "O": 3}
0.75
Candidates → Complex detail MOL 3D Viewer
#6592 Os1 Os(2) — 2 candidates
GT: {"N": 6} Pred: {"N": 8}
0.75
Candidates → Complex detail MOL 3D Viewer
#6641 1 Os(4) — 2 candidates
GT: {"N": 4} Pred: {"N": 3}
0.75
Candidates → Complex detail MOL 3D Viewer
#6642 2 Os(4) — 2 candidates
GT: {"N": 4} Pred: {"N": 3}
0.75
Candidates → Complex detail MOL 3D Viewer
#6643 3 Os(4) — 2 candidates
GT: {"N": 4} Pred: {"N": 3}
0.75
Candidates → Complex detail MOL 3D Viewer
#6644 4 Os(4) — 2 candidates
GT: {"N": 4} Pred: {"N": 3}
0.75
Candidates → Complex detail MOL 3D Viewer
#6665 H2pz[1] Os(3) — 2 candidates
GT: {"N": 4} Pred: {"N": 3}
0.75
Candidates → Complex detail MOL 3D Viewer
#6667 H2im[3] Os(3) — 2 candidates
GT: {"N": 4} Pred: {"N": 3}
0.75
Candidates → Complex detail MOL 3D Viewer
#6861 Rh-3 Rh(3) — 1 candidates
GT: {"O": 2, "N": 2} Pred: {"O": 1, "N": 2}
0.75
Candidates → Complex detail MOL 3D Viewer
#6867 Rh-9 Rh(3) — 1 candidates
GT: {"O": 2, "N": 2} Pred: {"O": 1, "N": 2}
0.75
Candidates → Complex detail MOL 3D Viewer
#6957 Rh-2 Rh(3) — 2 candidates
GT: {"N": 3, "O": 1} Pred: {"N": 2, "O": 1}
0.75
Candidates → Complex detail MOL 3D Viewer
#6958 Rh-1 Rh(3) — 2 candidates
GT: {"N": 3, "O": 1} Pred: {"N": 2, "O": 1}
0.75
Candidates → Complex detail MOL 3D Viewer
#7028 Rh1 Rh(3) — 2 candidates
GT: {"N": 2, "S": 1, "O": 1} Pred: {"N": 2, "S": 1}
0.75
Candidates → Complex detail MOL 3D Viewer
#7029 Rh2 Rh(3) — 2 candidates
GT: {"N": 2, "S": 1, "O": 1} Pred: {"N": 2, "S": 1}
0.75
Candidates → Complex detail MOL 3D Viewer
#825 Ru1 Ru(2) — 3 candidates
GT: {"N": 8} Pred: {"N": 11}
0.73
Candidates → Complex detail MOL 3D Viewer
#1646 Ru1 Ru(2) — 3 candidates
GT: {"N": 8} Pred: {"N": 11}
0.73
Candidates → Complex detail MOL 3D Viewer
#3511 4 Ru(2) — 4 candidates
GT: {"S": 3, "O": 3, "N": 2} Pred: {"O": 4, "S": 5, "N": 2}
0.73
Candidates → Complex detail MOL 3D Viewer
#3512 5 Ru(2) — 4 candidates
GT: {"S": 3, "O": 3, "N": 2} Pred: {"O": 4, "S": 5, "N": 2}
0.73
Candidates → Complex detail MOL 3D Viewer
#4504 Ru7 Ru(2) — 3 candidates
GT: {"N": 8} Pred: {"N": 11}
0.73
Candidates → Complex detail MOL 3D Viewer
#4790 1 Ru(2) — 3 candidates
GT: {"N": 8} Pred: {"N": 11}
0.73
Candidates → Complex detail MOL 3D Viewer
#345 Ru(4) Ru(2) — 3 candidates
GT: {"O": 1, "P": 4} Pred: {"O": 3, "P": 4}
0.71
Candidates → Complex detail MOL 3D Viewer
#389 4 Ru(2) — 3 candidates
GT: {"N": 4, "P": 2} Pred: {"N": 3, "P": 3}
0.71
Candidates → Complex detail MOL 3D Viewer
#1153 4 Ru(3) — 3 candidates
GT: {"N": 4, "O": 1} Pred: {"N": 5, "O": 2}
0.71
Candidates → Complex detail MOL 3D Viewer
#2112 2 Ru(3) — 2 candidates
GT: {"N": 5, "S": 1, "O": 1} Pred: {"N": 4, "S": 1}
0.71
Candidates → Complex detail MOL 3D Viewer
#2115 5 Ru(3) — 2 candidates
GT: {"N": 4, "O": 2, "S": 1} Pred: {"O": 2, "N": 2, "S": 1}
0.71
Candidates → Complex detail MOL 3D Viewer
#3013 Ru3 Ru(2) — 2 candidates
GT: {"N": 7} Pred: {"N": 5}
0.71
Candidates → Complex detail MOL 3D Viewer
#4303 3 Ru(3) — 3 candidates
GT: {"N": 4, "O": 1, "S": 1} Pred: {"N": 5, "S": 1}
0.71
Candidates → Complex detail MOL 3D Viewer
#4400 8b Ru(2) — 2 candidates
GT: {"N": 5} Pred: {"N": 7}
0.71
Candidates → Complex detail MOL 3D Viewer
#4449 2 Ru(3) — 2 candidates
GT: {"N": 2, "O": 3} Pred: {"O": 4, "N": 3}
0.71
Candidates → Complex detail MOL 3D Viewer
#4648 C3 Ru(3) — 2 candidates
GT: {"N": 2, "O": 4} Pred: {"O": 3, "N": 3}
0.71
Candidates → Complex detail MOL 3D Viewer
#6185 6 Re(1) — 2 candidates
GT: {"O": 4, "N": 3} Pred: {"O": 2, "N": 3}
0.71
Candidates → Complex detail MOL 3D Viewer
#6843 3a,2a Rh(3) — 2 candidates
GT: {"S": 1, "O": 1, "N": 4} Pred: {"S": 2, "N": 4}
0.71
Candidates → Complex detail MOL 3D Viewer
#6844 4a,3a,11 Rh(3) — 2 candidates
GT: {"S": 1, "O": 1, "N": 4} Pred: {"S": 2, "N": 4}
0.71
Candidates → Complex detail MOL 3D Viewer
#6845 5a Rh(3) — 2 candidates
GT: {"S": 1, "O": 1, "N": 4} Pred: {"S": 2, "N": 4}
0.71
Candidates → Complex detail MOL 3D Viewer
#6876 10 Rh(3) — 2 candidates
GT: {"S": 1, "O": 1, "N": 4} Pred: {"S": 2, "N": 4}
0.71
Candidates → Complex detail MOL 3D Viewer
#6899 Complex 4 Rh(3) — 2 candidates
GT: {"N": 5} Pred: {"N": 7}
0.71
Candidates → Complex detail MOL 3D Viewer
#6971 1 Rh(3) — 2 candidates
GT: {"N": 2, "S": 3} Pred: {"N": 4, "S": 3}
0.71
Candidates → Complex detail MOL 3D Viewer
#6972 2 Rh(3) — 2 candidates
GT: {"S": 5} Pred: {"S": 7}
0.71
Candidates → Complex detail MOL 3D Viewer
#2314 2 Ru(2) — 4 candidates
GT: {"S": 3, "O": 4} Pred: {"O": 5, "S": 5}
0.70
Candidates → Complex detail MOL 3D Viewer
#2970 4 Ru(2) — 3 candidates
GT: {"N": 7, "P": 1} Pred: {"P": 3, "N": 6}
0.70
Candidates → Complex detail MOL 3D Viewer
#3708 3c Ru(2) — 2 candidates
GT: {"O": 1, "N": 7} Pred: {"N": 9}
0.70
Candidates → Complex detail MOL 3D Viewer
#4013 2 Ru(2) — 3 candidates
GT: {"S": 1, "O": 1, "N": 6} Pred: {"O": 3, "N": 6}
0.70
Candidates → Complex detail MOL 3D Viewer
#44 3c,5,RuPOP,4 Ru(2) — 3 candidates
GT: {"N": 8} Pred: {"N": 12}
0.67
Candidates → Complex detail MOL 3D Viewer
#166 Ru-H2O,Ru-1c Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 6}
0.67
Candidates → Complex detail MOL 3D Viewer
#216 [Ru(Hdpa)2(phen)]2+ 1 Ru(2) — 3 candidates
GT: {"N": 8} Pred: {"N": 12}
0.67
Candidates → Complex detail MOL 3D Viewer
#217 [Ru(Hdpa)2(5,6-dmp)]2+ 2 Ru(2) — 3 candidates
GT: {"N": 8} Pred: {"N": 12}
0.67
Candidates → Complex detail MOL 3D Viewer
#229 2 Ru(2) — 3 candidates
GT: {"N": 8} Pred: {"N": 12}
0.67
Candidates → Complex detail MOL 3D Viewer
#231 4,6,3 Ru(2) — 3 candidates
GT: {"N": 8} Pred: {"N": 12}
0.67
Candidates → Complex detail MOL 3D Viewer
#232 5 Ru(2) — 3 candidates
GT: {"N": 8} Pred: {"N": 12}
0.67
Candidates → Complex detail MOL 3D Viewer
#233 6 Ru(2) — 3 candidates
GT: {"N": 8} Pred: {"N": 12}
0.67
Candidates → Complex detail MOL 3D Viewer
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