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Fundamental QSARs for Metal Ions

John D. Walker | Michael C. Newman | Monica Enache
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A01=John D. Walker
A01=Michael C. Newman
A01=Monica Enache
activity
aquatic toxicity modeling
Aromatic Bonds
atomic
Author_John D. Walker
Author_Michael C. Newman
Author_Monica Enache
bacterial
Bacterial Bioluminescence
Balaban Index
bioluminescence
Biotic Ligand
BLM
Bond Orders
Candidate Explanatory Variables
Category=PNK
Category=PSB
Data Set
Effective Nuclear Charge
environmental toxicology
eq_bestseller
eq_isMigrated=1
eq_isMigrated=2
eq_nobargain
eq_non-fiction
eq_science
Free Valence
Fukui Indices
Gravitation Index
index
inorganic chemistry
Ligand Donor Atoms
Metal Ion
metal ion risk assessment
Metal Ions
molecular descriptors
number
predictive metal ion toxicity methods
QSAR
QSAR Calculation
QSAR Development
QSAR Study
quantitative
Randic Index
regulatory science
relationship
softness
Sp Ir
structure
Topological Indices
Tr Ac
Transition Metals
Wiener Index

Product details

  • ISBN 9780367380526
  • Weight: 453g
  • Dimensions: 156 x 234mm
  • Publication Date: 23 Sep 2019
  • Publisher: Taylor & Francis Ltd
  • Publication City/Country: GB
  • Product Form: Paperback
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Description

Fundamental QSARs for Metal Ions describes the basic and essential applications of quantitative structure–activity relationships (QSARs) for regulatory or industrial scientists who need to predict metal ion bioactivity. It includes 194 QSARs that have been used to predict metal ion toxicity and 86 QSARs that have been used to predict metal ion bioconcentration, biosorption, and binding. It is an excellent sourcebook for academic, industrial, and government scientists and policy makers, and provides a wealth of information on the biological and chemical activities of metal ions as they impact health and the environment. Fundamental QSARs for Metal Ions was designed for regulatory and regulated organizations that need to use QSARs to predict metal ion bioactivity, as they now do for organic chemicals. It has the potential to eliminate resources to test the toxicity of metal ions or to promulgate regulations that require toxicity testing of metal ions because the book illustrates how to construct QSARs to predict metal ion toxicity. In addition, 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 are used to develop QSARs for metal ions


  • Illustrates the descriptors needed to develop metal ion-ligand binding QSARs


  • Discusses 280 QSARs for metal ions


  • 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


Dr. John D. Walker is the winner of the 2013 SETAC Government Service Award.
About John D. Walker | Michael C. Newman | Monica Enache
Monica Enache hasthirteen years of professional academic experience in Biology. Since 1999 she has been working at the Faculty of Biotechnology of the University of Agricultural Sciences and Veterinary Medicine of Bucharest, Romania. Prior to joining the faculty she has carried out her PhD degree in Liverpool John Moores University (UK), and received her Bachelor of Science degree from the Faculty of Biology of the University of Bucharest (Romania). She is currently a member of the National Society of Cell Biology in Romania, and has authored or co-authoredthen publications andfourteen abstracts for presentations at national or international scientific meetings.

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