Endocrine disruption modeling

Endocrine Disruption Modeling provides a practical overview of the current approaches for modeling endocrine activity and the related potential adverse effects they may induce on environmental and human health. Based on the extensive research of an international panel of contributors from industry, academia, and regulatory agencies, this is the first book devoted to using computer tools to better understand and simulate the multifaceted aspects of endocrine disruption in humans and wildlife.

Explores Diverse Modeling Techniques and Applications

This up-to-date resource focuses on xenobiotics that are accidentally released into the environment with the potential to disturb the normal functioning of the endocrine system of invertebrates and vertebrates but also on the specific agro-chemistry design of chemicals that take control of insect endocrine systems. A comprehensive research reference, Endocrine Disruption Modeling provides a collection of computational strategies to model these structurally diverse chemicals. It concludes with a review of the available e-resources in the field, rounding out the book's task-oriented approach to future EDC discovery.

Endocrine Disruption Modeling is the first book in the QSAR in Environmental and Health Sciences series (James Devillers, j.devillers@ctis.fr ).

James DevillersAndrew R. Brown and Paul F. Robinson and Andrew M. Riddle and Grace H. PanterJames DevillersNathalie Marchand-Geneste and James DevillersHong Fang and Roger Perkins and Leming Shi and Daniel M. Sheehan and Weida TongAlbert R. Cunningham and Daniel M. Consoer and Seena A. Iype and Suzanne L. CunninghamMarjana Novic and Marjan VrackoRichard D. Beger and Dan A. Buzatu and Jon G. WilkesOvanes Mekenyan and Rossitsa SerafimovaJean-Pierre Doucet and Annick PanayeJames Devillers and Jean-Pierre Doucet and Annick Panaye and Nathalie Marchand-Geneste and Jean-Marc PorcherToshio Fujita and Yoshiaki NakagawaNathalie Marchand-Geneste and James Devillers and Jean-Christophe Dore and Jean-Marc Porcher

Series Introduction	p. vii
Acknowledgments	p. ix
Contributors	p. xi
Chapter 1 In Silico Methods for Modeling Endocrine Disruption	p. 1
Chapter 2 Mechanisms of Endocrine Disruptions	p. 11
A Tentative OverviewJean-Marc Porcher and James Devillers and Nathalie Marchand-Geneste
Chapter 3 Population Dynamics Modeling: A Tool for Environmental Risk Assessment of Endocrine Disrupting Chemicals	p. 47
Chapter 4 Application of Pharmacokinetic Modeling to Understand the Mechanism of Action of Endocrine Disrupting Chemicals	p. 83
Chapter 5 Comparative Modeling Review of the Nuclear Hormone Receptor Superfamily	p. 97
Chapter 6 The U.S. Food and Drug Administration's (FDA) Endocrine Disruptor Knowledge Base (EDKB): Lessons Learned in QSAR Modeling and Applications	p. 143
Chapter 7 A Structure-Activity Relationship (SAR) Analysis for the Identification of Environmental Estrogens: The Categorical-SAR (cat-SAR) Approach	p. 173
Chapter 8 Kohonen and Counterpropagation Neural Networks Employed for Modeling Endocrine Disruptors	p. 199
Chapter 9 Quantitative Spectrometric Data-Activity Relationships (QSDAR) Models of Endocrine Disruptor Binding Activities	p. 235
Chapter 10 Mechanism-Based Modeling of Estrogen Receptor Binding Affinity: A Common Reactivity Pattern (COREPA) Implementation	p. 259
Chapter 11 Molecular Field Analysis Methods for Modeling Endocrine Disruptors	p. 295
Chapter 12 Structure-Activity Modeling of a Diverse Set of Androgen Receptor Ligands	p. 335
Chapter 13 SAR and QSAR Analyses of Substituted Dibenzoylhydrazines for Their Mode of Action as Ecdysone Agonists	p. 357
Chapter 14 e-Endocrine Disrupting Chemical Databases for Deriving SAR and QSAR Models	p. 379
Index	p. 399

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