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Advances in QSAR Modeling, Kunal Roy


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Автор: Kunal Roy
Название:  Advances in QSAR Modeling
ISBN: 9783319860183
Издательство: Springer
Классификация:







ISBN-10: 3319860186
Обложка/Формат: Soft cover
Страницы: 555
Вес: 0.86 кг.
Дата издания: 2018
Серия: Challenges and Advances in Computational Chemistry and Physics
Язык: English
Издание: Softcover reprint of
Иллюстрации: 71 illustrations, color; 61 illustrations, black and white; x, 555 p. 132 illus., 71 illus. in color.; 71 illustrations, color; 61 illustrations, blac
Размер: 234 x 156 x 29
Читательская аудитория: Professional & vocational
Ключевые слова: Theoretical and Computational Chemistry
Основная тема: Chemistry
Подзаголовок: Applications in Pharmaceutical, Chemical, Food, Agricultural and Environmental Sciences
Ссылка на Издательство: Link
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Поставляется из: Германии
Описание: Performance parameters and validation practices in QSAR modeling.- Towards interpretable QSAR models.- The use of topological indices in QSAR and QSPR modeling.- The Maximum Common Substructure (MCS) search as a new tool for SAR and QSAR.- The universal approach for structural and physico-chemical interpretation of QSAR/QSPR models.- Generative Topographic Mapping approach.- Monte Carlo methods for solution of tasks in Environmental Sciences.- QSAR in Environmental Research.- QSAR applications for environmental chemical prioritization: Biotransformation of chemicals.- QSAR modeling in environmental risk assessment: application to the prediction of pesticide toxicity.- Counter propagation artificial neural network (CP ANN) models for prediction of carcinogenicity of non congeneric chemicals for regulatory uses.- Strategy for identification of critical nanomaterials properties linked to biological impacts: interlinking of experimental and computational approaches.- QSAR/QSPR modeling in the design of drug candidates with balanced pharmacodynamics and pharmacokinetic properties.- Molecular modeling of food chemicals as potential bioactive compounds.- On application QSARs in Food and Agricultural Sciences: History and Recent Developments.
Дополнительное описание: Performance parameters and validation practices in QSAR modeling.- Towards interpretable QSAR models.- The use of topological indices in QSAR and QSPR modeling.- The Maximum Common Substructure (MCS) search as a new tool for SAR and QSAR.- The universal a



Advances in QSAR Modeling

Автор: Kunal Roy
Название: Advances in QSAR Modeling
ISBN: 3319568493 ISBN-13(EAN): 9783319568492
Издательство: Springer
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Цена: 46118.00 р.
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Описание: The book covers theoretical background and methodology as well as all current applications of Quantitative Structure-Activity Relationships (QSAR). Written by an international group of recognized researchers, this edited volume discusses applications of QSAR in multiple disciplines such as chemistry, pharmacy, environmental and agricultural sciences addressing data gaps and modern regulatory requirements. Additionally, the applications of QSAR in food science and nanoscience have been included - two areas which have only recently been able to exploit this versatile tool. This timely addition to the series is aimed at graduate students, academics and industrial scientists interested in the latest advances and applications of QSAR.

A Primer on QSAR/QSPR Modeling

Автор: Kunal Roy; Supratik Kar; Rudra Narayan Das
Название: A Primer on QSAR/QSPR Modeling
ISBN: 3319172808 ISBN-13(EAN): 9783319172804
Издательство: Springer
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Цена: 7685.00 р.
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Описание: This brief goes back to basics and describes the Quantitative structure-activity/property relationships (QSARs/QSPRs) that represent predictive models derived from the application of statistical tools correlating biological activity (including therapeutic and toxic) and properties of chemicals (drugs/toxicants/environmental pollutants) with descriptors representative of molecular structure and/or properties. It explains how the sub-discipline of Cheminformatics is used for many applications such as risk assessment, toxicity prediction, property prediction and regulatory decisions apart from drug discovery and lead optimization. The authors also present, in basic terms, how QSARs and related chemometric tools are extensively involved in medicinal chemistry, environmental chemistry and agricultural chemistry for ranking of potential compounds and prioritizing experiments. At present, there is no standard or introductory publication available that introduces this important topic to students of chemistry and pharmacy. With this in mind, the authors have carefully compiled this brief in order to provide a thorough and painless introduction to the fundamental concepts of QSAR/QSPR modelling. The brief is aimed at novice readers.

Автор: S.P. Gupta
Название: QSAR and Molecular Modeling
ISBN: 1402053940 ISBN-13(EAN): 9781402053948
Издательство: Springer
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Цена: 18860.00 р.
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Описание: "QSAR and Molecular Modeling" includes all the fundamentals of these approaches developed so far. Starting with the fundamentals of drug-receptor interactions, it covers various statistical approaches, different 2D QSAR methodologies, theories and values of useful variables governing biological activities, and popular 3D molecular modeling approaches.Graduate and postgraduate students of biological, pharmaceutical and chemical sciences along with those working in drug industries and research institutes will find this book of immense use.

3D QSAR in Drug Design

Автор: Hugo Kubinyi; Gerd Folkers; Yvonne C. Martin
Название: 3D QSAR in Drug Design
ISBN: 0792347919 ISBN-13(EAN): 9780792347910
Издательство: Springer
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Цена: 39182.00 р.
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Описание: Significant progress has been made in the study of three-dimensional quantitative structure-activity relationships (3D QSAR) since the first publication by Richard Cramer in 1988 and the first volume in the series, 3D QSAR in Drug Design.

QSAR and Molecular Modeling Studies in Heterocyclic Drugs I

Автор: S.P. Gupta
Название: QSAR and Molecular Modeling Studies in Heterocyclic Drugs I
ISBN: 3642070019 ISBN-13(EAN): 9783642070013
Издательство: Springer
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Цена: 40389.00 р.
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Описание: Some Southern generals, like Lee and Jackson, have stood the test of time, celebrated in their place in history. And then there are generals like John Bell Hood, reviled and ridiculed by generations of Civil War historians. The time has come to rethink this long-held notion, argues Brian Miller, in his comprehensive new biography, and to reassess John Bell Hood as a man, a myth, and a memory.

Neue Methoden zur Charakterisierung der QSAR-Anwendungsdom?ne

Автор: Max Nedden
Название: Neue Methoden zur Charakterisierung der QSAR-Anwendungsdom?ne
ISBN: 3834824887 ISBN-13(EAN): 9783834824882
Издательство: Springer
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Цена: 9141.00 р.
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Описание:

Konventionelle AD-Schдtzer.- Nichtparametrische Kerndichteschдtzung.- Der kernbasierte AD-Schдtzer KADE.- Datenstrukturen.- HDR-Berechnung.- Der zielraumgestьtzte AD-Schдtzer EKADE.- Optimalitдtskriterien fьr AD-Schдtzer.- Vergleichsstudie.

Recent Advances in QSAR Studies

Автор: Tomasz Puzyn; Jerzy Leszczynski; Mark T. Cronin
Название: Recent Advances in QSAR Studies
ISBN: 9400730918 ISBN-13(EAN): 9789400730915
Издательство: Springer
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Цена: 27950.00 р.
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Описание: This book presents an interdisciplinary overview on the most recent advances in QSAR studies. The first part consists of a comprehensive review of QSAR methodology. The second part highlights the interdisciplinary aspects and new areas of QSAR modelling.

QSAR in Environmental Toxicology - II

Автор: K.L. Kaiser
Название: QSAR in Environmental Toxicology - II
ISBN: 9401082464 ISBN-13(EAN): 9789401082464
Издательство: Springer
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Цена: 16979.00 р.
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Описание: Proceedings of the 2nd International Workshop on QSAR in Environmental Toxicology, held at McMaster University, Hamilton, Ontario, Canada, June 9-13, 1986

Advances in Modeling Agricultural Systems

Автор: Petraq Papajorgji; Panos Pardalos
Название: Advances in Modeling Agricultural Systems
ISBN: 1441945253 ISBN-13(EAN): 9781441945259
Издательство: Springer
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Цена: 27251.00 р.
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Описание: This book presents an up-to-date review of advances in the mathematical modeling of agricultural systems. It uses real-world cases and includes a broad spectrum of problems and applications based on internet and communications technology.


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