| Description |
1 online resource |
| Series |
Challenges and advances in computational chemistry and physics ; v. 8 |
|
Challenges and advances in computational chemistry and physics ; v. 8
|
| Contents |
Preface; Contents; Part I Theory of QSAR; 1 Quantitative Structure -- Activity Relationships (QSARs) -- Applications and Methodology; 2 The Use of Quantum Mechanics Derived Descriptors in Computational Toxicology; 3 Molecular Descriptors; 4 3D-QSAR -- Applications, Recent Advances, and Limitations; 5 Virtual Screening and Molecular Design Based on Hierarchical QSAR Technology; 6 Robust Methods in QSAR; 7 Chemical Category Formation and Read-Across for the Prediction of Toxicity; Part II Practical Application; 8 QSAR in Chromatography: Quantitative Structure -- Retention Relationships (QSRRs) |
|
9 The Use of QSAR and Computational Methods in Drug Design10 In Silico Approaches for Predicting ADME Properties; 11 Prediction of Harmful Human Health Effects of Chemicals from Structure; 12 Chemometric Methods and Theoretical Molecular Descriptors in Predictive QSAR Modeling of the Environmental Behavior of Organic Pollutants; 13 The Role of QSAR Methodology in the Regulatory Assessment of Chemicals; 14 Nanomaterials -- the Next Great Challenge for QSAR Modelers; Appendix A; Index |
| Summary |
Presents an interdisciplinary overview on various developments in QSAR studies. This book outlines the theoretical framework together with practical applications. It is suitable for scientists focussed on developing new methodologies as well as researchers engaged in trying to solve specific problems via QSAR |
| Bibliography |
Includes bibliographical references and index |
| Notes |
Print version record |
| In |
Springer eBooks |
| Subject |
QSAR (Biochemistry)
|
|
Chimie.
|
|
Science des matériaux.
|
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QSAR (Biochemistry)
|
| Form |
Electronic book
|
| Author |
Puzyn, Tomasz
|
|
Leszczynski, Jerzy, 1949-
|
|
Cronin, Mark T. D
|
| ISBN |
9781402097836 |
|
1402097832 |
|
1402097824 |
|
9781402097829 |
|
