Environmental Forensics · 2011 · 10 citations · 14 references
PharmacyChemistryPharmacologyAnalytical ChemistryDrug DiscoveryStructure-activity RelationshipsBinding Affinity PredictionCoordination ChemistryLigand BindingMolecular ModelingProtein-ligand BindingQuantitative Structure-activity RelationshipsChemical Equilibrium ConstantsEquilibrium ConstantsLigand-based Binding PredictionProtein-ligand Binding Affinity PredictionQuantitative Structure - Property Relationship ModelingQuantitative Structure-property Relationship ModelsStability ConstantsStructure-property Relationship Analysis
Knowing binding constants for the complexes Hg(II) forms with organic ligands is of special importance from therapeutic and environmental perspectives. In this work, in light of critical discussion of the current literature on stability constants of Hg(II) complexes, a quantitative structure-property relationship (QSPR) for predicting equilibrium constants of Hg(II) binding by small organic molecules has been developed and validated. The QSPR has a standard error of prediction (Spred) value of 1.60 log units and describes 96.5% of the variability in data.
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NIST Critically Selected Stability Constants of Metal Complexes Database
RM Smith, A. E. Martell, RJ Motekaitis et al. · 2004 · 1.2K citations
Metal Chelates of Some Sulfur-containing Amino Acids<sup>*</sup>
George R. Lenz, Arthur E. Martell · Biochemistry · 1964 · 206 citations