Computational Toxicology

Volume II
2013
ISBN: 978-1-62703-058-8
Verlag: Humana Press

Buch, Englisch, Band 930, 648 Seiten, Format (B × H): 183 mm x 260 mm, Gewicht: 1419 g

Reihe: Methods in Molecular Biology

Rapid advances in computer science, biology, chemistry, and other disciplines are enabling powerful new computational tools and models for toxicology and pharmacology. These computational tools hold tremendous promise for advancing applied and basic science, from streamlining drug efficacy and safety testing, to increasing the efficiency and effectiveness of risk assessment for environmental chemicals. Computational Toxicology was conceived to provide both experienced and new biomedical and quantitative scientists with essential background, context, examples, useful tips, and an overview of current developments in the field. This two-volume set serves as a resource to help introduce and guide readers in the development and practice of these tools to solve problems and perform analyses in this area.
Divided into six sections, Volume II covers a wide array of methodologies and topics. The volume begins by exploring the critical area of predicting toxicological and pharmacological endpoints, as well as approaches used in the analysis of gene, signaling, regulatory, and metabolic networks. The next section focuses on diagnostic and prognostic molecular indicators (biomarkers), followed by the application of modeling in the context of government regulatory agencies.  Systems toxicology approaches are also introduced. The volume closes with primers and background on some of the key mathematical and statistical methods covered earlier, as well as a list of other resources. Written in a format consistent with the successful Methods in Molecular Biology™ series where possible, chapters include introductions to their respective topics, lists of the necessary materials and software tools used, methods, and notes on troubleshooting and avoiding known pitfalls.
Authoritative and easily accessible, Computational Toxicology will allow motivated readers to participate in this exciting field and undertake a diversity of realistic problems of interest.

Zielgruppe

Professional/practitioner

Autoren/Hrsg.

Mayeno, Arthur N.

Reisfeld, Brad

Fachgebiete

• Naturwissenschaften Chemie Chemie Allgemein Chemometrik, Chemoinformatik
• Medizin | Veterinärmedizin Medizin | Public Health | Pharmazie | Zahnmedizin Medizin, Gesundheitswesen Medizinische Mathematik & Informatik
• Mathematik | Informatik EDV | Informatik Angewandte Informatik Bioinformatik
• Medizin | Veterinärmedizin Medizin | Public Health | Pharmazie | Zahnmedizin Pharmazie
• Naturwissenschaften Chemie Chemie Allgemein Pharmazeutische Chemie, Medizinische Chemie
• Medizin | Veterinärmedizin Medizin | Public Health | Pharmazie | Zahnmedizin Medizinische Fachgebiete Pharmakologie, Toxikologie
• Naturwissenschaften Biowissenschaften Angewandte Biologie Bioinformatik

Inhaltsverzeichnis

Part 1. Toxicological/Pharmacological Endpoint Prediction
 
1. Methods for Building QSARs
            James Devillers
 
2. Accessing and Using Chemical Databases
            Nikolai Nikolov, Todor Pavlov, Jay R. Niemelä, and Ovanes Mekenyan
 
3. From QSAR to QSIIR: Searching for Enhanced Computational Toxicology Models
            Hao Zhu
 
4. Mutagenicity, Carcinogenicity and Other Endpoints
            Romualdo Benigni, Chiara Laura Battistelli, Cecilia Bossa, Mauro Colafranceschi, and Olga Tcheremenskaia
 
5. Classification Models for Safe Drug Molecules
            A.K. Madan, Sanjay Bajaj, and Harish Dureja
 
6. QSAR and Metabolic Assessment Tools in the Assessment of Genotoxicity
            Andrew P. Worth, Silvia Lapenna, and Rositsa Serafimova
 
Part II. Biological Network Modeling
 
7. Gene Expression Networks
            Reuben Thomas and Christopher J. Portier
 
8. Construction of Cell Type-Specific Logic Models of Signaling Networks Using CellNetOptimizer
            Melody K. Morris, Ioannis Melas, and Julio Saez-Rodriguez
 
9. Regulatory Networks
            Gilles Bernot, Jean-Paul Comet, and Christine Risso- de Faverney
 
10. Computational Reconstruction of Metabolic Networks from KEGG
            Tingting Zhou
 
Part III. Biomarkers
 
11. Biomarkers
            Harmony Larson, Elena Chan, Sucha Sudarsanam, and Dale E. Johnson
 
12. Biomarkers: Environmental Public Health Indicators
            Andrey I. Egorov, Dafina Dalbokova, and Michal Kryzanowski
 
Part IV. Modeling for Regulatory Purposes (Risk and Safety Assessment)
 
13. Modeling for Regulatory Purposes (Risk and Safety Assessment)
            Hisham El-Masri
 
14. Developmental Toxicity Prediction
            Raghuraman Venkatapathy and Nina Ching Y. Wang
 
15. Predictive Computational Toxicology to Support Drug Safety Assessment
            Luis G. Valerio, Jr.
 
Part V. Integrated Modeling/Systems Toxicology Approaches
 
16. Developing a Practical Toxicogenomics Data Analysis System Utilizing Open-Source Software
            Takehiro Hirai and Naoki Kiyosawa
 
17. Systems Toxicology from Genes to Organs
            John Jack, John Wambaugh, and Imran Shah
 
18. Agent Based Models of Cellular Systems
            Nicola Cannata, Flavio Corradini, Emanuela Merelli, and Luca Tesei
 
Part VI. Mathematical and Statistical Background
 
19. Linear Algebra
            Kenneth Kuttler
 
20. Ordinary Differential Equations
            Jirí Lebl
 
21. On the Development and Validation of QSAR Models
            Paola Gramatica
 
22. Principal Components Analysis
            Detlef Groth, Stefanie Hartmann, Sebastian Klie, and Joachim Selbig
 
23. Partial Least Square Methods: Partial Least Squares Correlation and Partial Least Square Regression
            Hervé Abdi and Lynne J. Williams
 
24. Maximum Likelihood
            Shuying Yang and Daniela De Angelis
 
25. Bayesian Inference
            Frédéric Y. Bois