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Puzyn, Tomasz

Recent Advances in QSAR Studies

Puzyn, Tomasz - Recent Advances in QSAR Studies, ebook

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ISBN: 9781402097836
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Table of contents

1. Quantitative Structure–Activity Relationships (QSARs) – Applications and Methodology
Mark T. D. Cronin

2. The Use of Quantum Mechanics Derived Descriptors in Computational Toxicology
Steven J Enoch

3. Molecular Descriptors
Viviana Consonni, Roberto Todeschini

4. 3D-QSAR – Applications, Recent Advances, and Limitations
Wolfgang Sippl

5. Virtual Screening and Molecular Design Based on Hierarchical Qsar Technology
Victor E. Kuz’min, A.G. Artemenko, Eugene N. Muratov, P.G. Polischuk, L.N. Ognichenko, A.V. Liahovsky, A.I. Hromov, E.V. Varlamova

6. Robust Methods in Qsar
Beata Walczak, MichaŁ Daszykowski, Ivana Stanimirova

7. Chemical Category Formation and Read-Across for the Prediction of Toxicity
Steven j. Enoch

8. QSAR in Chromatography: Quantitative Structure–Retention Relationships (QSRRs)
Roman Kaliszan, Tomasz Bączek

9. The Use of Qsar and Computational Methods in Drug Design
Fania Bajot

10. In Silico Approaches for Predicting Adme Properties
Judith C. Madden

11. Prediction of Harmful Human Health Effects of Chemicals from Structure
Mark T. D. Cronin

12. Chemometric Methods and Theoretical Molecular Descriptors in Predictive QSAR Modeling of the Environmental Behavior of Organic Pollutants
Paola Gramatica

13. The Role of Qsar Methodology in the Regulatory Assessment of Chemicals
Andrew Paul Worth

14. Nanomaterials – the Next Great Challenge for Qsar Modelers
Tomasz Puzyn, Agnieszka Gajewicz, Danuta Leszczynska, Jerzy Leszczynski

Keywords: Chemistry, Theoretical and Computational Chemistry, Medicinal Chemistry, Characterization and Evaluation of Materials

Author(s)
 
 
Publisher
Springer
Publication year
2010
Language
en
Edition
1
Series
Challenges and Advances in Computational Chemistry and Physics
Category
Natural Sciences
Format
Ebook
eISBN (PDF)
9781402097836

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