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- 000 06714pam a2200469 i 4500
- 008 210416s2022 njua ab 001 0 eng
- 020 __ |a 9781119681595 |q hardback
- 020 __ |a 1119681596 |q hardback
- 020 __ |z 9781119681649 |q adobe pdf
- 020 __ |z 9781119681601 |q epub
- 035 __ |a (OCoLC)1249714583
- 040 __ |a LBSOR/DLC |b eng |e rda |c DLC |d BDX |d OCLCO |d OCLCF |d OCLCO |d SOI |d ZSU
- 050 00 |a QH90.8.T68 |b C44 2021
- 082 00 |a 363.739/40285 |2 23
- 099 __ |a CAL 022022056656
- 245 00 |a Chemometrics and cheminformatics in aquatic toxicology / |c edited by Kunal Roy, professor in the Department of Pharmaceutical Technology, Jadavpur University, Kolkata, India.
- 264 _1 |a Hoboken, NJ : |b Wiley, |c 2022.
- 300 __ |a xxii, 570 pages : |b illustrations ; |c 27 cm
- 336 __ |a text |b txt |2 rdacontent
- 337 __ |a unmediated |b n |2 rdamedia
- 338 __ |a volume |b nc |2 rdacarrier
- 504 __ |a Includes bibliographical references and index.
- 505 0_ |a Water quality and contaminants of emerging concern (CECs) / Antonio Juan García-Fernández, Silvia Espín, Pilar Gómez-Ramírez, Pablo Sánchez-Virosta, Isabel Navas -- The effects of contaminants of emerging concern on water quality / Heiko L. Schoenfuss -- Chemometrics : multivariate statistical analysis of analytical chemical and biomolecular data / Richard Brereton -- Chemometrics and cheminformatics -- an introduction / Chanin Nantasenamat -- An introduction to some basic chemometric tools / Lennart Eriksson, Erik Johansson, Johan Trygg -- From data to models : mining experimental values with machine learning tools / G. Gini, E. Benfenati -- Machine learning approaches in computational toxicology studies / Pravin Ambure, Stephen Jones Barigye, Rafael Gozalbes -- Counter-propagation neural networks for modelling and read across in aquatic (fish) toxicity / Marjan Vracko, Viktor Drgan -- Aiming high versus aiming all : aquatic toxicology and QSAR multitarget models / Ana S. Moura and M. Natalia D.S. Cordeiro -- Chemometric approaches to evaluate interspecies relationships and extrapolation in aquatic toxicity / S. Raimondo, C.M. Lavelle, M.G. Barron -- The QSAR paradigm to explore and predict aquatic toxicity / Fotios Tsopelas, Anna Tsantili-Kakoulidou -- Application of cheminformatics to model fish toxicity / Sorin Avram, Simona Funar-Timofei, Gheorghe Ilia -- Chemometric modeling of algal and daphnia toxicity / Luminita Crisan, Ana Borota, Alina Bora, Simona Funar-Timofei, Gheorghe Ilia -- Chemometric modeling of algal toxicity / Gül?in Tu?cu, Serli ?nlü, M.T. Sacan -- Chemometric modelling of daphnia toxicity / Amit Kumar Halder and M. Natalia D.S. Cordeiro -- Chemometric modeling of Daphnia toxicity : quantum-mechanical insights / Reenu and Vikas -- Chemometric modeling of toxicity of chemicals to tadpoles / Kabiruddin Khan and Kunal Roy -- Chemometric modeling of chemical toxicity to marine bacteria / Kabiruddin Khan and Kunal Roy -- Chemometric modeling of pesticide aquatic toxicity / Alina Bora, Simona Funar-Timofei -- Contribution of chemometric modeling to chemical risks assessment for aquatic plants : state of the art / Mabrouk Hamadache, Abdeltif Amrane , Othmane Benkortbi, Salah Hanini -- Application of 3D QSAR approaches to classification and prediction of aquatic toxicity / S. Lee, M.G. Barron -- Aquatic ecotoxicity QSAR methods for cationic polymers / Hans Sanderson, Pathan Mohsin Khan, Supratik Kar, Kunal Roy, Anna Magdalene Brun Hansen, Kristin Connors, Scott Belanger -- In silico platforms for predictive ecotoxicology : from machine learning to deep learning / Yong Oh Lee, Baeckkyoung Sung -- The use and evolution of web tools for aquatic toxicology studies / Renata Priscila Costa Barros, Luana de Morais e Silva, Natalia Ferreira de Sousa, Luciana Scotti, Marcus Tullius Scotti -- The tools for aquatic toxicology within the VEGAHUB system / A. Lombarodo, D. Baderna, E. Benfenati -- Aquatic toxicology databases / Supratik Kar, Kerzy Leszczynski -- Computational tools for the assessment and substitution of biocidal active substances of ecotoxicological concern : the COMBASE project / María Blázquez, Oscar Andreu-Sánchez, Arantxa Ballesteros, María Luisa Fernández-Cruz, Carlos Fito, Sergi Gómez-Ganau, Rafael Gozalbes, David Hernández-Moreno, Anna Lombardo, Marco Marzo, Irati Ranero, Emilio Benfenati -- Image analysis and deep learning web services for nanoinformatics / Anastasios G. Papadiamantis, Antreas Afantitis, Andreas Tsoumanis, Pantelis Karatzas, Philip Doganis, Dimitra-Danai Varsou, Haralambos Sarimveis, Laura-Jayne A. Ellis, Eugenia Valsami-Jones, Iseult Lynch, Georgia Melagraki.
- 520 __ |a "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"-- |c Provided by publisher.
- 650 _0 |a Water |x Pollution |x Toxicology |x Mathematical models.
- 650 _0 |a Water |x Pollution |x Toxicology |x Data processing.
- 650 _0 |a Water quality |x Mathematical models.
- 650 _0 |a Water quality |x Measurement |x Data processing.
- 650 _0 |a Cheminformatics.
- 650 _2 |a Cheminformatics
- 700 1_ |a Roy, Kunal, |d 1971- |e editor.
- 776 08 |i Online version: |a Roy, Kunal, 1971- |t Chemometrics and cheminformatics in aquatic toxicology. |b 1st edition |d Hoboken, NJ : Wiley, 2021 |z 9781119681649 |w (DLC) 2021010980