Recent Advances in QSAR Studies: Methods and Applications by Tomasz PuzynRecent Advances in QSAR Studies: Methods and Applications by Tomasz Puzyn

Recent Advances in QSAR Studies: Methods and Applications

EditorTomasz Puzyn, Jerzy Leszczynski, Mark T. Cronin

Paperback | March 1, 2012

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This book presents an interdisciplinary overview on the most recent advances in QSAR studies. The first part is handbook-esque and consists of a comprehensive review of QSAR methodology written by outstanding scientists and highly experienced lecturers. It focuses on methodology and new ideas, providing readers with an idea of recent trends and developments in each part of QSAR strategy (descriptors, methods of modelling, validation). The second part highlights the interdisciplinary aspects and new areas of QSAR modelling. It outlines the theoretical framework together with practical applications. The most optimal solutions (descriptors, mathematical/statistical methods, validation) in the individual areas of interest (environmental risk assessment, drug design, etc.) are also discussed in more detail."Recent Advances in QSAR Studies: Methods and Applications" is targeted at scientists focussed on developing new methodologies as well as researchers engaged in trying to solve specific problems via QSAR.
Title:Recent Advances in QSAR Studies: Methods and ApplicationsFormat:PaperbackDimensions:427 pages, 9.25 × 6.1 × 0.03 inPublished:March 1, 2012Publisher:Springer NetherlandsLanguage:English

The following ISBNs are associated with this title:

ISBN - 10:9400730918

ISBN - 13:9789400730915

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Table of Contents

Part I   Theory of QSAR1 Quantitative Structure-Acticity Relationships (QSAR) - Applications and MethodologyMark T. D. Cronin2 The Use of Quantum Mechanics Derived Descriptors in Computational ToxicologySteven J. Enoch3 Molecular DescriptorsViviana Consonni, Roberto Todeschini4 3D-QSAR - Applications, Recent Advances and LimitationsWolfgang Sippl5 Virtual Screening and Molecular Design Based on Hierarchical QSAR TechnologyVictor E. Kuz'min, A. G. Artemenko, Eugene N. Muratov, P. G. Polischuk, L. N. Ognichenko, A. V. Liahovsky, A. I. Hromov, E. V. Varlamova6 Robust Methods in QSARMichal Daszykowski, Ivana Stanimirova, Beata Walczak7 Chemical Category Formation and Read Across for the Prediction of ToxicitySteven J. Enoch Part II   Practical Applications8 QSAR in Chromatography: Quantitative Structure-Retention Relationships (QSRR)Roman Kaliszan, Tomasz Baczek9 The Use of QSAR and Computational Methods in Drug DesignFania Bajot10 In Silico Approaches for Predicting ADME PropertiesJudith C. Madden11 Prediction of Harmful Human Health Effects of Chemicals from StructureMark T.D. Cronin12 Chemometric Methods and Theoretical Molecular Descriptors in Predictive QSAR Modeling of the Environmental Behaviour of Organic PollutantsPaola Gramatica13 The Role of QSAR Methodology in the Regulatory Assessment of ChemicalsAndrew P. Worth14 Nanomaterials - the Next Great Challenge for QSAR ModelersTomasz Puzyn, Agnieszka Gajewicz, Danuta Leszczynska, Jerzy Leszczynski