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Chemometrics and cheminformatics in aquatic toxicology /

"This book introduces readers to the existing and emerging problems of contamination of the aquatic environment due to various metal and organic pollutants (including industrial chemicals, pharmaceuticals, cosmetics, biocides, nanomaterials, pesticides, surfactants, dyes, etc.) and resultant ef...

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Bibliographic Details
Group Author: Roy, Kunal, 1971-
Published: John Wiley & Sons, Inc.,
Publisher Address: Hoboken, NJ :
Publication Dates: 2022.
Literature type: Book
Language: English
Edition: First edition.
Subjects:
Water > Pollution > Toxicology > Mathematical models.
Water > Pollution > Toxicology > Data processing.
Water quality > Mathematical models.
Water quality > Measurement > Data processing.
Chemometrics.
Cheminformatics.
Eau > Mode?les mathe?matiques. > Mode?les mathe?matiques.
Eau > Informatique. > Informatique. > Informatique.
Chimiome?trie.
Chimio-informatique.
Water quality > Data processing. > Data processing.
Summary: "This book introduces readers to the existing and emerging problems of contamination of the aquatic environment due to various metal and organic pollutants (including industrial chemicals, pharmaceuticals, cosmetics, biocides, nanomaterials, pesticides, surfactants, dyes, etc.) and resultant effects on water quality, chemical threat to the aquatic organisms and consequent effects on human health. The book discusses different chemometric (classification and pattern recognition tools, clustering techniques, principal component analysis, multivariate regression analysis, etc.) and cheminformatic (toxicophore, QSAR, data mining, etc.) tools for the non-experts and their application in analyzing and modeling toxicity data of chemicals (including metal and organic contaminants) to various aquatic organisms. Split into four sections the book covers chemometric and cheminformatic tools and protocols, case studies and literature reports, and tools and databases. Multispecies aquatic toxicity modeling will demonstrate the data gap filling in absence of toxicity data for a particular aquatic species. Various aquatic toxicity databases and chemometric software tools and webservers are covered and practical examples of model development with illustrations are provided"--
Carrier Form: xxii, 570 pages : illustrations ; 26 cm
Bibliography: Includes bibliographical references and index.
ISBN: 9781119681595
1119681596
Index Number: QH90
CLC: X52
Call Number: X52/C517

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