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Robust Theoretical Models in Medicinal Chemistry, Edited by Luciana Scotti, Senior Researcher, Feder


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Автор: Edited by Luciana Scotti, Senior Researcher, Feder
Название:  Robust Theoretical Models in Medicinal Chemistry
ISBN: 9780443274206
Издательство: Elsevier Science
Классификация:



ISBN-10: 0443274207
Обложка/Формат: Paperback
Страницы: 350
Вес: 0.00 кг.
Дата издания: 01.11.2025
Размер: 229 x 152
Подзаголовок: QSAR, Artificial Intelligence, Machine Learning, and Deep Learning
Ссылка на Издательство: Link
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Поставляется из: Европейский союз
Описание: Robust Theoretical Models in Medicinal Chemistry: QSAR, Artificial Intelligence, Machine Learning, and Deep Learning serves as a valuable resource chock full of applications extending into multiple knowledge domains. The meticulous construction of a robust model holds significance, not only in drug discovery but also in engineering, chemistry, pharmaceutical, and food-related research, illustrating the broad spectrum of fields where QSAR methodologies can be instrumental. The activities considered in QSAR span chemical measurements and biological assays, making this approach a versatile tool applicable across various scientific domains. Currently, QSAR finds extensive use in diverse disciplines, prominently in drug design and environmental risk assessment.Quantitative Structure-Activity Relationships (QSAR) represent a concerted effort to establish correlations between structural or property descriptors of compounds and their respective activities. These physicochemical descriptors encompass a wide array of parameters, accounting for hydrophobicity, topology, electronic properties, and steric effects, and can be determined empirically or, more recently, through advanced computational methods.
Дополнительное описание: Provides specific introductions and discussions on QSAR theory and methodsAnalyzes QSAR applicability in Pharmaceutical Chemistry, Food Science, and Environmental SciencesBuilds, validates, and interprets robust, predictive, and reliable QSAR models



Organic Chemistry, 2 ed. ISBN 9780199270293

Название: Organic Chemistry, 2 ed. ISBN 9780199270293
ISBN: 0199270295 ISBN-13(EAN): 9780199270293
Издательство: Oxford Academ
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Цена: 13618.00 р.
Наличие на складе: Ожидается поступление.

Описание: Inspiring and motivating students from the moment it published, Organic Chemistry has established itself in just one edition as the students` choice of organic chemistry text. Its explanatory, mechanistic, evidence-based approach makes it perfect for fostering a true understanding of the subject.

Vibrational Spectra of Organometallic

Автор: Maslowsky
Название: Vibrational Spectra of Organometallic
ISBN: 1119404657 ISBN-13(EAN): 9781119404651
Издательство: Wiley
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Цена: 18955.00 р. 27078.00 -30%
Наличие на складе: Есть (1 шт.)
Описание:

A comprehensive compilation of the available experimental and theoretical vibrational data for organometallic compounds and its role in evaluating the structures, bonding, and properties of these key compounds

This unique book offers a thorough review of the literature dealing with vibrational data obtained using various phases, including matrices, reported for organometallic compounds from infrared spectra, Raman spectra, and several other techniques. It is the only one that compiles the available experimental and theoretical vibrational data on these compounds, and which discusses the importance of this information and its role in evaluating structures, bonding, and other important properties. It also treats the use of DFT and other theoretical calculations to analyze the vibrational data and to predict properties associated with these compounds. The book also includes vibrational data for organic species that form on metal and other surfaces.

Vibrational Spectra of Organometallics: Theoretical and Experimental Data offers complete coverage of: Carbide, Alkylidyne, Alkylidene, Alkyl, and Alkane Derivatives; Noncyclic Carbon Clusters and Unsaturated Hydrocarbon Derivatives; and Cyclic, Unsaturated Organometallic Derivatives. By summarizing work that has already been done on organometallic compounds, it serves as an important reference for those studying their vibrational spectra and will, in the end, lead to a clearer understanding of other research that needs to be done in order to help researchers determine new research directions.

  • An important reference for those studying the vibrational spectra of organometallic compounds
  • Gathers the existing experimental and theoretical vibrational data and discusses its significance in assessing structures, bonding, and other principle properties
  • Includes DFT methods for the interpretation of spectra, which has been one of the major developments of the last two decades

Vibrational Spectra of Organometallics: Theoretical and Experimental Data is an important reference for researchers and practitioners in the areas of inorganic, organometallic, organic, and surface chemistry who have an interest in using vibrational data to characterize the bonding, composition, reactions, and structures of organometallic compounds, and organic species that are formed on various surfaces.

Автор: Napagoda Mayuri, Jayasinghe Lalith
Название: Chemistry of Natural Products: Phytochemistry and Pharmacognosy of Medicinal Plants
ISBN: 3110595893 ISBN-13(EAN): 9783110595895
Издательство: Walter de Gruyter
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Цена: 17656.00 р.
Наличие на складе: Есть у поставщика Поставка под заказ.

Описание:

Plants produce secondary metabolites that humans harness for their own benefit. About half of drugs currently in clinical use are based on these chemicals found in nature. Chemistry of Natural Products covers secondary metabolites present in medicinal plants and their biosynthesis, biological activities, and isolation and separation techniques. This book is ideal for researchers in the areas of biochemistry, medicine, and pharmacology.

Knowledge-Based Expert Systems in Chemistry

Автор: Judson Philip
Название: Knowledge-Based Expert Systems in Chemistry
ISBN: 0854041605 ISBN-13(EAN): 9780854041602
Издательство: Royal Society of Chemistry
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Цена: 19323.00 р.
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Описание: This excellent introduction to a growing area of computing in chemistry will interest students, scientists and academics.

Catalysis: Volume 26

Название: Catalysis: Volume 26
ISBN: 1849739188 ISBN-13(EAN): 9781849739184
Издательство: Royal Society of Chemistry
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Цена: 49888.00 р.
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Описание: Over 7000 papers are published in the field of catalysis each year. While the majority appear within a handful publications, keeping up with the literature can be difficult. Now in its 26th volume, the Specialist Periodical Report on Catalysis presents critical and comprehensive reviews of the hottest literature published over the last twelve months. Industrial and academic scientists face increasing challenges to find cost-effective and environmentally sound methods for converting natural resources into fuels, chemicals and energy. This series is edited by two leading researchers in the field and provides a balanced and in-depth review of the modern approaches to these challenges, covering major areas of heterogeneous and homogenous catalysis, as well as specific applications of catalysis, such as NOx control, kinetics and experimental techniques, such as microcalorimetry. With chapters detailing specific areas within the field, this series is a comprehensive reference for anyone working in Catalysis and an essential resource for any Library.

Theoretical and Computational Aspects of Magnetic Organic Mo

Автор: Datta Sambhu N
Название: Theoretical and Computational Aspects of Magnetic Organic Mo
ISBN: 1908977213 ISBN-13(EAN): 9781908977212
Издательство: World Scientific Publishing
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Цена: 16474.00 р.
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Описание: Organic materials with extraordinary magnetic properties promise a wide range of light, flexible, and inexpensive alternatives to familiar metal-based magnets. Individual organic molecules with high magnetic moments will be the foundation for design and fabrication of these materials.This book provides a systematic understanding of the structure and properties of organic magnetic molecules. After a summary of the phenomenon of magnetism at the molecular level, it presents a survey of the challenges to theoretical description and evaluation of the magnetic character of open-shell molecules, and an overview of recently developed methods and their successes and shortfalls. Several fields of application, including very strong organic molecular magnets and photo-magnetic switches, are surveyed. Finally, discussions on metal-based materials and simultaneously semiconducting and ferromagnetic extended systems and solids point the way toward future advances.The reader will find a comprehensive discourse on current understanding of magnetic molecules, a thorough survey of computational methods of characterizing known and imagined molecules, simple rules for design of larger magnetic systems, and a guide to opportunities for progress toward organic magnets.

Theoretical Aspects of Transition Metal Catalysis

Автор: Gernot Frenking
Название: Theoretical Aspects of Transition Metal Catalysis
ISBN: 3642062512 ISBN-13(EAN): 9783642062513
Издательство: Springer
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Цена: 37615.00 р.
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Описание: Transition metal catalysis belongs to the most important chemical research areas because a ubiquitous number of chemical reactions are catalyzed by transition metal compounds.

Hydrogen-Bonded Capsules: Molecular Behavior In Small Spaces

Автор: Rebek Julius
Название: Hydrogen-Bonded Capsules: Molecular Behavior In Small Spaces
ISBN: 981467835X ISBN-13(EAN): 9789814678353
Издательство: World Scientific Publishing
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Цена: 15523.00 р.
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Описание: This monograph describes the behavior of molecules confined to small spaces.

Aromatic Interactions: Frontiers in Knowledge and Application

Автор: Johnson Darren W., Hof Fraser, Gale Philip
Название: Aromatic Interactions: Frontiers in Knowledge and Application
ISBN: 1782624171 ISBN-13(EAN): 9781782624172
Издательство: Royal Society of Chemistry
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Цена: 25186.00 р.
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Описание: This book provides a wide ranging survey of the latest findings and advances surrounding aromatic interactions, from the fundamentals to modern applications.

Chemistry of Carbon Nanostructures

Автор: Klaus Muellen, Xinliang Feng
Название: Chemistry of Carbon Nanostructures
ISBN: 3110284502 ISBN-13(EAN): 9783110284508
Издательство: Walter de Gruyter
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Цена: 16727.00 р.
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Описание:

Chemistry of Carbon Nanostructures aims to present the current state-of-the-art synthesis and application of carbon materials like nano diamonds, ribbons and graphene-like structures in science and engineering. Edited by Professor Klaus Mllen, who received the Adolf von Bayer Medal for his contribution to Carbon Chemistry, and Xinliang Feng, this book combines outstanding contributions by a renowned international team of experts.

The authors discuss chemical aspects of carbon nanostructures, their synthesis, functionalization and design strategies for defi ned applications. Recent advances in carbon nanomembranes, molecule-assisted ultrasound-induced liquid-phase exfoliation of graphene, and solution synthesis of graphene nanoribbons and biological application of nanodiamonds are highlighted topics.

This book provides an excellent reference on the chemistry of carbon nanostructures for Chemists, Materials Scientists, Condensed-matter Physicists, Surface Scientists, and Engineers.

Catalysis: Volume 28

Название: Catalysis: Volume 28
ISBN: 1782624279 ISBN-13(EAN): 9781782624271
Издательство: Royal Society of Chemistry
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Цена: 49888.00 р.
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Описание: Industrial and academic scientists face increasing challenges to find cost-effective and environmentally sound catalysts for a variety of applications. This volume provides a balanced and in-depth review of the modern approaches to some of these challenges covering major areas such as catalysts for green catalytic processes, research and development of hydrocracking catalysts, using nanoclusters as catalysts and preparation of foams.

In Vivo Models for Drug Discovery

Автор: Vela
Название: In Vivo Models for Drug Discovery
ISBN: 3527333282 ISBN-13(EAN): 9783527333288
Издательство: Wiley
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Цена: 23118.00 р.
Наличие на складе: Поставка под заказ.


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