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
#5704 PC8 Ir(3) — 3 candidates
GT: {"N": 5} Pred: {"N": 9}
0.56
Candidates → Complex detail MOL 3D Viewer
#6384 ODC3 Os(2) — 3 candidates
GT: {"N": 5} Pred: {"N": 9}
0.56
Candidates → Complex detail MOL 3D Viewer
#6872 [Rh(hmbt)2(H2O)2]Cl Rh(3) — 2 candidates
GT: {"O": 2, "N": 6} Pred: {"O": 3, "N": 3}
0.56
Candidates → Complex detail MOL 3D Viewer
#6970 1 Rh(3) — 3 candidates
GT: {"O": 1, "N": 2, "P": 2} Pred: {"O": 3, "N": 3, "P": 3}
0.56
Candidates → Complex detail MOL 3D Viewer
#7047 2 Rh(3) — 3 candidates
GT: {"O": 3, "N": 2} Pred: {"O": 6, "N": 3}
0.56
Candidates → Complex detail MOL 3D Viewer
#200 2 Ru(2) — 3 candidates
GT: {"P": 2, "N": 6} Pred: {"P": 5, "N": 4}
0.55
Candidates → Complex detail MOL 3D Viewer
#388 3 Ru(3) — 3 candidates
GT: {"N": 5, "O": 1, "P": 2} Pred: {"O": 3, "N": 3, "P": 3}
0.55
Candidates → Complex detail MOL 3D Viewer
#645 (1) Ru(2) — 3 candidates
GT: {"N": 4, "O": 1, "P": 2} Pred: {"N": 8, "P": 2}
0.55
Candidates → Complex detail MOL 3D Viewer
#718 [Ru(N-P)2(NCS)2] Ru(2) — 4 candidates
GT: {"N": 4, "P": 2} Pred: {"N": 8, "P": 3}
0.55
Candidates → Complex detail MOL 3D Viewer
#785 1 Ru(2) — 3 candidates
GT: {"S": 1, "N": 1, "P": 4} Pred: {"N": 3, "S": 3, "P": 5}
0.55
Candidates → Complex detail MOL 3D Viewer
#1073 11 Ru(2) — 3 candidates
GT: {"N": 5, "O": 1} Pred: {"N": 10, "O": 1}
0.55
Candidates → Complex detail MOL 3D Viewer
#1162 14 Ru(3) — 3 candidates
GT: {"N": 6, "O": 2} Pred: {"O": 5, "N": 4}
0.55
Candidates → Complex detail MOL 3D Viewer
#1168 Ru-PhenNH2 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 11}
0.55
Candidates → Complex detail MOL 3D Viewer
#1271 1a Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 11}
0.55
Candidates → Complex detail MOL 3D Viewer
#1486 3 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 11}
0.55
Candidates → Complex detail MOL 3D Viewer
#1534 2 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 11}
0.55
Candidates → Complex detail MOL 3D Viewer
#2002 Ru-2 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 11}
0.55
Candidates → Complex detail MOL 3D Viewer
#2448 SCAR 4,SCAR4 Ru(2) — 3 candidates
GT: {"O": 1, "N": 3, "P": 2} Pred: {"O": 3, "N": 4, "P": 4}
0.55
Candidates → Complex detail MOL 3D Viewer
#2891 Ru-2 Ru(2) — 3 candidates
GT: {"N": 8} Pred: {"S": 3, "N": 6}
0.55
Candidates → Complex detail MOL 3D Viewer
#3191 1 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 11}
0.55
Candidates → Complex detail MOL 3D Viewer
#3762 2 Ru(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 11}
0.55
Candidates → Complex detail MOL 3D Viewer
#3825 3,1 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 11}
0.55
Candidates → Complex detail MOL 3D Viewer
#3925 Ru1 Ru(2) — 3 candidates
GT: {"S": 1, "N": 1, "P": 4} Pred: {"N": 3, "S": 3, "P": 5}
0.55
Candidates → Complex detail MOL 3D Viewer
#4040 [Ru(l-Tyr-H)(dppb)(phen)]PF6 Ru(2) — 3 candidates
GT: {"N": 3, "O": 1, "P": 2} Pred: {"O": 3, "N": 4, "P": 4}
0.55
Candidates → Complex detail MOL 3D Viewer
#4335 6e Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 11}
0.55
Candidates → Complex detail MOL 3D Viewer
#4382 B2D Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 11}
0.55
Candidates → Complex detail MOL 3D Viewer
#4633 Ru-ART-3 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 11}
0.55
Candidates → Complex detail MOL 3D Viewer
#4757 Ru-1 Ru(2) — 3 candidates
GT: {"N": 8} Pred: {"S": 3, "N": 6}
0.55
Candidates → Complex detail MOL 3D Viewer
#4758 Ru-2 Ru(2) — 3 candidates
GT: {"N": 8} Pred: {"S": 3, "N": 6}
0.55
Candidates → Complex detail MOL 3D Viewer
#4759 Ru-3 Ru(2) — 3 candidates
GT: {"N": 8} Pred: {"S": 3, "N": 6}
0.55
Candidates → Complex detail MOL 3D Viewer
#4760 Ru-4 Ru(2) — 3 candidates
GT: {"N": 8} Pred: {"S": 3, "N": 6}
0.55
Candidates → Complex detail MOL 3D Viewer
#4761 Ru-5 Ru(2) — 3 candidates
GT: {"N": 8} Pred: {"S": 3, "N": 6}
0.55
Candidates → Complex detail MOL 3D Viewer
#4762 Ru-6 Ru(2) — 3 candidates
GT: {"N": 8} Pred: {"S": 3, "N": 6}
0.55
Candidates → Complex detail MOL 3D Viewer
#4796 1 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 11}
0.55
Candidates → Complex detail MOL 3D Viewer
#2621 5 Ru(2) — 3 candidates
GT: {"O": 1, "N": 2, "S": 1, "P": 4} Pred: {"S": 3, "N": 3, "P": 6}
0.54
Candidates → Complex detail MOL 3D Viewer
#3412 2 Ru(2) — 3 candidates
GT: {"O": 1, "N": 7} Pred: {"N": 12}
0.54
Candidates → Complex detail MOL 3D Viewer
#3543 1 Ru(2) — 4 candidates
GT: {"N": 4, "S": 1, "P": 2} Pred: {"S": 4, "N": 6, "P": 3}
0.54
Candidates → Complex detail MOL 3D Viewer
#3544 2,Ru(ThySMet) Ru(2) — 4 candidates
GT: {"N": 4, "S": 1, "P": 2} Pred: {"S": 4, "N": 6, "P": 3}
0.54
Candidates → Complex detail MOL 3D Viewer
#3545 3 Ru(2) — 4 candidates
GT: {"N": 4, "S": 1, "P": 2} Pred: {"S": 4, "N": 6, "P": 3}
0.54
Candidates → Complex detail MOL 3D Viewer
#4257 1 Ru(2) — 3 candidates
GT: {"N": 7, "O": 1} Pred: {"O": 6, "N": 6}
0.54
Candidates → Complex detail MOL 3D Viewer
#4258 2 Ru(2) — 3 candidates
GT: {"N": 7, "O": 1} Pred: {"O": 6, "N": 6}
0.54
Candidates → Complex detail MOL 3D Viewer
#4259 3 Ru(2) — 3 candidates
GT: {"N": 7, "O": 1} Pred: {"O": 6, "N": 6}
0.54
Candidates → Complex detail MOL 3D Viewer
#4602 2 Ru(2) — 4 candidates
GT: {"O": 1, "N": 4, "P": 2} Pred: {"O": 4, "N": 6, "P": 3}
0.54
Candidates → Complex detail MOL 3D Viewer
#475 Ru3 Ru(2) — 3 candidates
GT: {"N": 8} Pred: {"N": 15}
0.53
Candidates → Complex detail MOL 3D Viewer
#877 CB Ru(2) — 3 candidates
GT: {"N": 8} Pred: {"N": 15}
0.53
Candidates → Complex detail MOL 3D Viewer
#878 CP Ru(2) — 3 candidates
GT: {"N": 8} Pred: {"N": 15}
0.53
Candidates → Complex detail MOL 3D Viewer
#1019 1 Ru(2) — 3 candidates
GT: {"N": 8} Pred: {"N": 15}
0.53
Candidates → Complex detail MOL 3D Viewer
#1531 [Ru-o-OH]2+ Ru(2) — 3 candidates
GT: {"N": 8} Pred: {"N": 15}
0.53
Candidates → Complex detail MOL 3D Viewer
#2173 4 Ru(2) — 3 candidates
GT: {"N": 8} Pred: {"N": 15}
0.53
Candidates → Complex detail MOL 3D Viewer
#2569 1 Ru(2) — 3 candidates
GT: {"N": 8} Pred: {"N": 15}
0.53
Candidates → Complex detail MOL 3D Viewer
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