Fundamental QSARs for Metal Ions

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John D. Walker, Michael C. Newman, Monica Enache, "Fundamental QSARs for Metal Ions"
English | 2012 | ISBN: 142008433X | 302 pages | PDF | 6 MB

Focusing on the field of metal ion bioactivity in Quantitative Structure Activity Relationships (QSAR), Fundamental QSARs for Metal Ions concentrates on the basic and essential applications of QSAR methods to predict metal ion toxicity, bioconcentration, biosorption, and binding. An excellent source book for academic, industrial, and government scientists and policy makers, it lays out the theoretical basis and provides a concrete introduction to studying the biological and chemical activities of metal ions as they impact health and the environment.
Designed for regulatory and regulated organizations that wish to use QSARs to predict the toxicity, bioconcentration, biosorption, and binding of metal ions as they now do for organic chemicals, the book:
Provides a historical perspective and introduction to developing QSARs for metal ions
Explains the electronic structures and atomic parameters of metals essential to understanding differences in chemical properties that influence cation toxicity, bioconcentration, biosorption, and binding
Describes the chemical properties of metals that have been and can be used to develop QSARs for metal ions
Illustrates the descriptors needed to develop metal ion-ligand binding QSARs
Discusses 97 QSARs for metal ions developed from 1972 to 2003 and 183 QSARs for metal ions that were developed from 2004 to 2011
Explains the differences between QSARs for metal ions and Biotic Ligand Models
Lists the regulatory limits of metals and provides examples of regulatory applications
Illustrates how to construct QSARs for metal ions

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