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Cover image for Fundamental QSARs for metal ions
Title:
Fundamental QSARs for metal ions
Author:
Walker, John D., 1945-
ISBN:
9781420084344
Publication Information:
Boca Raton : CRC Press, 2013.
Physical Description:
xiv, 288 p. : ill.
Contents:
ch. 1. Introduction -- ch. 2. Electronic structure of metals and atomic parameters -- ch. 3. Properties of metals and metal ions related to QSAR studies -- ch. 4. Descriptors for organometallic complexes -- ch. 5. QSARs for predicting cation toxicity, bioconcentration, biosorption, and binding -- ch. 6. QSARs versus BLM -- ch. 7. Regulatory limits and applications -- ch. 8. Constructing QSARs for metal ions.
Abstract:
"PREFACE The idea for writing Fundamental QSARs for Metal Ions was inspired by: 1) reading many of the publications from Michael Newman's laboratory on Quantitative Ion Character-Activity Relationships (QICARs), and 2) co-authoring a 2003 review with Monica on Quantitative Cation-Activity Relationships (QCARs) for metal ions. We used the term QSARs in the title because it's the more universally recognized acronym. However, the terms QCARs, QSARs and QICARs are used interchangeably throughout the book, depending upon whose publication we're discussing. When Monica, Michael and I discussed writing the book, we knew it would be a challenging task to write the first book on QSARs for metal ions. At Monica's suggestion, we solicited the contributions of one chapter co-author and two chapter authors who provided chemical properties of metal ions and descriptors to predict metal-ligand binding. Monica co-authored chapter 2 with Maria Pele* and translated parts of chapters 3 and 4 from Romanian to English. Chapter 3 was written by Valentina Uivarosi** and chapter 4 was written by Laszlo Tarko***. Michael wrote chapters 1 and 8 and provided extensive constructive comments on Chapters 2-7. I wrote chapters 5, 6 and 7 and reviewed chapters 1-4 and 8. "-- Provided by publisher.
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