Vol. 1 of Chemoinformatics of Natural Products presents an overview of natural products chemistry, discussing the chemical space of naturally occurring compounds, followed by an overview of computational methods.
Vol. 2 of Chemoinformatics of Natural Products introduces the reader to the currently available tools for toxicity prediction, drug property prediction, an enumeration of compounds, scaffolds and functional groups in nature, computational methods for lead identification, metabolite biosynthesis, etc. Selected case studies and hands-on tutorial exercises have been included.
Автор: Faulon Название: Handbook of Chemoinformatics Algorithms ISBN: 1420082922 ISBN-13(EAN): 9781420082920 Издательство: Taylor&Francis Рейтинг: Цена: 24499.00 р. Наличие на складе: Поставка под заказ.
Описание: Describing the characteristics and limitations of key algorithms, this book covers various aspects of chemoinformatics, including structure representation, molecular descriptors, similarity search, virtual screening, and structure-property model generation and validation.
Автор: Barry A. Bunin; Brian Siesel; Guillermo Morales; J Название: Chemoinformatics: Theory, Practice, & Products ISBN: 9048172500 ISBN-13(EAN): 9789048172504 Издательство: Springer Рейтинг: Цена: 23508.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: Chemoinformatics is the use of information technology in the acquisition, analysis and management of data and information relating to chemical compounds and their properties.
Автор: Barry A. Bunin; Brian Siesel; Guillermo Morales; J Название: Chemoinformatics: Theory, Practice, & Products ISBN: 1402050003 ISBN-13(EAN): 9781402050008 Издательство: Springer Рейтинг: Цена: 23508.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: Chemoinformatics is the use of information technology in the acquisition, analysis and management of data and information relating to chemical compounds and their properties.
Автор: J?rgen Bajorath Название: Chemoinformatics ISBN: 1617374598 ISBN-13(EAN): 9781617374593 Издательство: Springer Рейтинг: Цена: 23058.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: In the literature, several terms are used synonymously to name the topic of this book: chem-, chemi-, or chemo-informatics. A widely recognized de- nition of this discipline is the one by Frank Brown from 1998 (1) who defined chemoinformatics as the combination of "all the information resources that a scientist needs to optimize the properties of a ligand to become a drug. " In Brown's definition, two aspects play a fundamentally important role: de- sion support by computational means and drug discovery, which distinguishes it from the term "chemical informatics" that was introduced at least ten years earlier and described as the application of information technology to ch- istry (not with a specific focus on drug discovery). In addition, there is of course "chemometrics," which is generally understood as the application of statistical methods to chemical data and the derivation of relevant statistical models and descriptors (2). The pharmaceutical focus of many developments and efforts in this area--and the current popularity of gene-to-drug or si- lar paradigms--is further reflected by the recent introduction of such terms as "discovery informatics" (3), which takes into account that gaining kno- edge from chemical data alone is not sufficient to be ultimately successful in drug discovery. Such insights are well in accord with other views that the boundaries between bio- and chemoinformatics are fluid and that these d- ciplines should be closely combined or merged to significantly impact b- technology or pharmaceutical research (4).
Автор: Alexandre Varnek Название: Tutorials in Chemoinformatics ISBN: 1119137969 ISBN-13(EAN): 9781119137962 Издательство: Wiley Рейтинг: Цена: 12981.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: 30 tutorials and more than 100 exercises in chemoinformatics, supported by online software and data sets Chemoinformatics is widely used in both academic and industrial chemical and biochemical research worldwide. Yet, until this unique guide, there were no books offering practical exercises in chemoinformatics methods.
Описание: <em>Methodologies and Applications for Chemoinformatics and Chemical Engineering</em> brings together innovative research, new concepts, and novel developments in the application of informatics tools for applied chemistry and computer science. This book is essential amongst chemists, engineers, and researchers in providing mutual communication between academics and industry professionals around the world.
Автор: Johann Gasteiger Название: Chemoinformatics: A Textbook ISBN: 3527306811 ISBN-13(EAN): 9783527306817 Издательство: Wiley Рейтинг: Цена: 14406.00 р. Наличие на складе: Поставка под заказ.
Описание: From the basics to applications, this text provides both students and newcomers to this field with the knowledge and tools needed. It features practical tutorials that lead readers step-by-step through the range of chemoinformatic tools.
Автор: Muthukumarasamy Karthikeyan; Renu Vyas Название: Practical Chemoinformatics ISBN: 813223491X ISBN-13(EAN): 9788132234913 Издательство: Springer Рейтинг: Цена: 9794.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: Enabling readers to engage in chemoiformatics using open-source tools and data, this book has numerous step-by-step tutorials to help readers grasp the topics quickly in a field set to have a major impact on the chemical, medical, and material sciences.
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