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Titlebook: Recent Advances in QSAR Studies; Methods and Applicat Tomasz Puzyn,Jerzy Leszczynski,Mark T. Cronin Book 2010 Springer Science+Business Med

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书目名称Recent Advances in QSAR Studies
副标题Methods and Applicat
编辑Tomasz Puzyn,Jerzy Leszczynski,Mark T. Cronin
视频video
概述An interdisciplinary overview on recent advances in Quantitative Structure–Activity Relationships (QSAR) studies.Presents both a review of new ideas about methodology and new areas of QSAR application
丛书名称Challenges and Advances in Computational Chemistry and Physics
图书封面Titlebook: Recent Advances in QSAR Studies; Methods and Applicat Tomasz Puzyn,Jerzy Leszczynski,Mark T. Cronin Book 2010 Springer Science+Business Med
描述.Recent Advances in QSAR Studies: Methods and Applications. presents an interdisciplinary overview on the most recent advances in QSAR studies. The first part of this volume 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 of this volume 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 who are focussed on developing new methodologies as well as researchers who are engaged in trying to solve specific problems via QSAR. Additionally, this volume should serve as an essential reference to promote interact
出版日期Book 2010
关键词QSAR; Quantitative Structure–Activity Relationships; modeling; modelling; molecular descriptors; nanomate
版次1
doihttps://doi.org/10.1007/978-1-4020-9783-6
isbn_softcover978-94-007-3091-5
isbn_ebook978-1-4020-9783-6Series ISSN 2542-4491 Series E-ISSN 2542-4483
issn_series 2542-4491
copyrightSpringer Science+Business Media B.V. 2010
The information of publication is updating

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Virtual Screening and Molecular Design Based on Hierarchical Qsar Technologypproach presented are an ability to solve QSAR/QSPR tasks for mixtures of compounds, the absence of the “molecular alignment” problem, consideration of different physical–chemical properties of atoms (e.g., charge, lipophilicity), and the high adequacy and good interpretability of obtained models an
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Prediction of Harmful Human Health Effects of Chemicals from Structureilable, the techniques to apply them successfully have become essential. Integration of different in silico approaches with each other, as well as with other alternative approaches, e.g., in vitro and -omics through the development of integrated testing strategies, will assist in the more efficient
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