Open Access Databases And Datasets For Drug Discovery

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Open Access Databases and Datasets for Drug Discovery

Author : Antoine Daina
Publisher : John Wiley & Sons
ISBN 13 : 3527348395
Total Pages : 357 pages
Book Rating : 4.5/5 (273 download)

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Book Synopsis Open Access Databases and Datasets for Drug Discovery by : Antoine Daina

Download or read book Open Access Databases and Datasets for Drug Discovery written by Antoine Daina and published by John Wiley & Sons. This book was released on 2023-12-26 with total page 357 pages. Available in PDF, EPUB and Kindle. Book excerpt: Open Access Databases and Datasets for Drug Discovery Timely resource discussing the future of data-driven drug discovery and the growing number of open-source databases With an overview of 90 freely accessible databases and datasets on all aspects of drug design, development, and discovery, Open Access Databases and Datasets for Drug Discovery is a comprehensive guide to the vast amount of “free data” available to today’s pharmaceutical researchers. The applicability of open-source data for drug discovery and development is analyzed, and their usefulness in comparison with commercially available tools is evaluated. The most relevant databases for small molecules, drugs and druglike substances, ligand design, protein 3D structures (both experimental and calculated), and human drug targets are described in depth, including practical examples of how to access and work with the data. The first part is focused on databases for small molecules, followed by databases for macromolecular targets and diseases. The final part shows how to integrate various open-source tools into the academic and industrial drug discovery and development process. Contributed to and edited by experts with long-time experience in the field, Open Access Databases and Datasets for Drug Discovery includes information on: An extensive listing of open access databases and datasets for computer-aided drug design PubChem as a chemical database for drug discovery, DrugBank Online, and bioisosteric replacement for drug discovery supported by the SwissBioisostere database The Protein Data Bank (PDB) and macromolecular structure data supporting computer-aided drug design, and the SWISS-MODEL repository of 3D protein structures and models PDB-REDO in computational aided drug design (CADD), and using Pharos/TCRD for discovering druggable targets Unmatched in scope and thoroughly reviewing small and large open data sources relevant for rational drug design, Open Access Databases and Datasets for Drug Discovery is an essential reference for medicinal and pharmaceutical chemists, and any scientists involved in the drug discovery and drug development.

Green's Dictionary of Slang (multi-volume set)

Author : Jonathon Green
Publisher : Chambers
ISBN 13 : 9780550104403
Total Pages : 0 pages
Book Rating : 4.1/5 (44 download)

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Book Synopsis Green's Dictionary of Slang (multi-volume set) by : Jonathon Green

Download or read book Green's Dictionary of Slang (multi-volume set) written by Jonathon Green and published by Chambers. This book was released on 2017-07-01 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: The three volumes of Green's Dictionary of Slang demonstrate the sheer scope of a lifetime of research by Jonathon Green, the leading slang lexicographer of our time. A remarkable collection of this often reviled but endlessly fascinating area of the English language, it covers slang from the past five centuries right up to the present day, from all the different English-speaking countries and regions. Totaling 10.3 million words and over 53,000 entries, the collection provides the definitions of 100,000 words and over 413,000 citations. Every word and phrase is authenticated by genuine and fully-referenced citations of its use, giving the work a level of authority and scholarship unmatched by any other publication in this field. Winner of the Dartmouth Medal RUSA/ALA Outstanding Reference Source 2011 Booklist Editors' Choice Library Journal Best Reference 2011

Artificial Intelligence in Drug Discovery

Author : Nathan Brown
Publisher : Royal Society of Chemistry
ISBN 13 : 1839160543
Total Pages : 425 pages
Book Rating : 4.8/5 (391 download)

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Book Synopsis Artificial Intelligence in Drug Discovery by : Nathan Brown

Download or read book Artificial Intelligence in Drug Discovery written by Nathan Brown and published by Royal Society of Chemistry. This book was released on 2020-11-04 with total page 425 pages. Available in PDF, EPUB and Kindle. Book excerpt: Following significant advances in deep learning and related areas interest in artificial intelligence (AI) has rapidly grown. In particular, the application of AI in drug discovery provides an opportunity to tackle challenges that previously have been difficult to solve, such as predicting properties, designing molecules and optimising synthetic routes. Artificial Intelligence in Drug Discovery aims to introduce the reader to AI and machine learning tools and techniques, and to outline specific challenges including designing new molecular structures, synthesis planning and simulation. Providing a wealth of information from leading experts in the field this book is ideal for students, postgraduates and established researchers in both industry and academia.

Converging Pharmacy Science and Engineering in Computational Drug Discovery

Author : Tripathi, Rati Kailash Prasad
Publisher : IGI Global
ISBN 13 :
Total Pages : 337 pages
Book Rating : 4.3/5 (693 download)

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Book Synopsis Converging Pharmacy Science and Engineering in Computational Drug Discovery by : Tripathi, Rati Kailash Prasad

Download or read book Converging Pharmacy Science and Engineering in Computational Drug Discovery written by Tripathi, Rati Kailash Prasad and published by IGI Global. This book was released on 2024-04-22 with total page 337 pages. Available in PDF, EPUB and Kindle. Book excerpt: The world of pharmaceutical research is moving at lightning speed, and the age-old approach to drug discovery faces many challenges. It's a fascinating time to be on the cutting edge of medical innovation, but it's certainly not without its obstacles. The process of developing new drugs is often time-consuming, expensive, and fraught with uncertainty. Researchers are constantly seeking ways to streamline this process, reduce costs, and increase the success rate of bringing new drugs to market. One promising solution lies in the convergence of pharmacy science and engineering, particularly in computational drug discovery. Converging Pharmacy Science and Engineering in Computational Drug Discovery presents a comprehensive solution to these challenges by exploring the transformative synergy between pharmacy science and engineering. This book demonstrates how researchers can expedite the identification and development of novel therapeutic compounds by harnessing the power of computational approaches, such as sophisticated algorithms and modeling techniques. Through interdisciplinary collaboration, pharmacy scientists and engineers can revolutionize drug discovery, paving the way for more efficient and effective treatments. This book is an invaluable resource for pharmaceutical scientists, researchers, and engineers seeking to enhance their understanding of computational drug discovery. This book inspires future innovations by showcasing cutting-edge methodologies and innovative research at the intersection of pharmacy science and engineering. It contributes to the ongoing evolution of pharmaceutical research. It offers practical insights and solutions that will shape the future of drug discovery, making it essential reading for anyone involved in the pharmaceutical industry.

Computer Applications in Drug Discovery and Development

Author : Puratchikody, A.
Publisher : IGI Global
ISBN 13 : 1522573275
Total Pages : 332 pages
Book Rating : 4.5/5 (225 download)

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Book Synopsis Computer Applications in Drug Discovery and Development by : Puratchikody, A.

Download or read book Computer Applications in Drug Discovery and Development written by Puratchikody, A. and published by IGI Global. This book was released on 2018-11-23 with total page 332 pages. Available in PDF, EPUB and Kindle. Book excerpt: With more restrictions upon animal experimentations, pharmaceutical industries are currently focusing on a new generation of experiments and technologies that are considerably more efficient and less controversial. The integration of computational and experimental strategies has led to the identification and development of promising compounds. Computer Applications in Drug Discovery and Development is a pivotal reference source that provides innovative research on the application of computers for discovering and designing new drugs in modern molecular biology and medicinal chemistry. While highlighting topics such as chemical structure databases and dataset utilization, this publication delves into the current panorama of drug discovery, where high drug failure rates are a major concern and properly designed virtual screening strategies can be a time-saving, cost-effective, and productive alternative. This book is ideally designed for chemical engineers, pharmacists, molecular biologists, students, researchers, and academicians seeking current research on the unexplored avenues and future perspectives of drug design.

Computational Drug Discovery

Author : Pooja A. Chawla
Publisher : Walter de Gruyter GmbH & Co KG
ISBN 13 : 3111207595
Total Pages : 543 pages
Book Rating : 4.1/5 (112 download)

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Book Synopsis Computational Drug Discovery by : Pooja A. Chawla

Download or read book Computational Drug Discovery written by Pooja A. Chawla and published by Walter de Gruyter GmbH & Co KG. This book was released on 2024-10-07 with total page 543 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational methods and understanding computational models are important in modern drug discovery. The book focuses on computational approaches that can improve the development of in silico methodologies. It includes lead hit methods, docking algorithms, computational chiral compounds, structure-based drug design, GROMACS and NAMD, structural genomics, toxicity prediction, enzyme inhibitors and peptidomimetic therapeutics

Semantic Breakthrough in Drug Discovery

Author : Bin Chen
Publisher : Springer
ISBN 13 : 9783031794551
Total Pages : 0 pages
Book Rating : 4.7/5 (945 download)

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Book Synopsis Semantic Breakthrough in Drug Discovery by : Bin Chen

Download or read book Semantic Breakthrough in Drug Discovery written by Bin Chen and published by Springer. This book was released on 2014-10-31 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: The current drug development paradigm---sometimes expressed as, ``One disease, one target, one drug''---is under question, as relatively few drugs have reached the market in the last two decades. Meanwhile, the research focus of drug discovery is being placed on the study of drug action on biological systems as a whole, rather than on individual components of such systems. The vast amount of biological information about genes and proteins and their modulation by small molecules is pushing drug discovery to its next critical steps, involving the integration of chemical knowledge with these biological databases. Systematic integration of these heterogeneous datasets and the provision of algorithms to mine the integrated datasets would enable investigation of the complex mechanisms of drug action; however, traditional approaches face challenges in the representation and integration of multi-scale datasets, and in the discovery of underlying knowledge in the integrated datasets. The Semantic Web, envisioned to enable machines to understand and respond to complex human requests and to retrieve relevant, yet distributed, data, has the potential to trigger system-level chemical-biological innovations. Chem2Bio2RDF is presented as an example of utilizing Semantic Web technologies to enable intelligent analyses for drug discovery.Table of Contents: Introduction / Data Representation and Integration Using RDF / Data Representation and Integration Using OWL / Finding Complex Biological Relationships in PubMed Articles using Bio-LDA / Integrated Semantic Approach for Systems Chemical Biology Knowledge Discovery / Semantic Link Association Prediction / Conclusions / References / Authors' Biographies

Business Innovation

Author : Vijay Pandiarajan
Publisher : Routledge
ISBN 13 : 1000538249
Total Pages : 356 pages
Book Rating : 4.0/5 (5 download)

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Book Synopsis Business Innovation by : Vijay Pandiarajan

Download or read book Business Innovation written by Vijay Pandiarajan and published by Routledge. This book was released on 2022-01-25 with total page 356 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides an understanding of innovation models and why they are important in the business context, and considers sources of innovation and how to apply business frameworks using real-world examples of innovation-led businesses. After providing a solid background to the key concepts related to innovation models, the book looks at why innovation takes place and where the sources of innovation lie, from corporate research to crowd-sourced and government-funded initiatives. Innovation models across manufacturing, services and government are explored, as well as measuring innovation, and the impact of design thinking and lean enterprise principles on innovation and sustainability-driven imperatives. Offering a truly comprehensive and global approach, Business Innovation should be core or recommended reading for advanced undergraduate, postgraduate, MBA and Executive Education students studying Innovation Management, Strategic Management and Entrepreneurship.

Drug repurposing and polypharmacology: A synergistic approach in multi-target based drug discovery

Author : Mithun Rudrapal
Publisher : Frontiers Media SA
ISBN 13 : 2832512623
Total Pages : 170 pages
Book Rating : 4.8/5 (325 download)

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Book Synopsis Drug repurposing and polypharmacology: A synergistic approach in multi-target based drug discovery by : Mithun Rudrapal

Download or read book Drug repurposing and polypharmacology: A synergistic approach in multi-target based drug discovery written by Mithun Rudrapal and published by Frontiers Media SA. This book was released on 2023-01-30 with total page 170 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Computational Phytochemistry

Author : Satyajit Dey Sarker
Publisher : Elsevier
ISBN 13 : 0443161038
Total Pages : 532 pages
Book Rating : 4.4/5 (431 download)

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Book Synopsis Computational Phytochemistry by : Satyajit Dey Sarker

Download or read book Computational Phytochemistry written by Satyajit Dey Sarker and published by Elsevier. This book was released on 2024-03-15 with total page 532 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational Phytochemistry, Second Edition, explores how recent advances in computational techniques and methods have been embraced by phytochemical researchers to enhance many of their operations, refocusing and expanding the possibilities of phytochemical studies. By applying computational aids and mathematical models to extraction, isolation, structure determination, and bioactivity testing, researchers can obtain highly detailed information about phytochemicals and optimize working approaches. This book aims to support and encourage researchers currently working with or looking to incorporate computational methods into their phytochemical work. Topics in this book include computational methods for predicting medicinal properties, optimizing extraction, isolating plant secondary metabolites, and building dereplicated phytochemical libraries. The roles of high-throughput screening, spectral data for structural prediction, plant metabolomics, and biosynthesis are all reviewed before the application of computational aids for assessing bioactivities and virtual screening is discussed. Illustrated with detailed figures and supported by practical examples, this book is an indispensable guide for all those involved with the identification, extraction, and application of active agents from natural products. This new edition captures remarkable advancements in mathematical modeling and computational methods that have been incorporated in phytochemical research, addressing, e.g., extraction, isolation, structure determination, and bioactivity testing of phytochemicals. Includes step-by-step protocols for various computational and mathematical approaches applied to phytochemical research Features clearly illustrated chapters contributed by highly reputable researchers Covers all key areas in phytochemical research, including virtual screening and metabolomics

Computational Drug Design

Author : D. C. Young
Publisher : John Wiley & Sons
ISBN 13 : 9780470451847
Total Pages : 344 pages
Book Rating : 4.4/5 (518 download)

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Book Synopsis Computational Drug Design by : D. C. Young

Download or read book Computational Drug Design written by D. C. Young and published by John Wiley & Sons. This book was released on 2009-01-28 with total page 344 pages. Available in PDF, EPUB and Kindle. Book excerpt: Helps you choose the right computational tools and techniques to meet your drug design goals Computational Drug Design covers all of the major computational drug design techniques in use today, focusing on the process that pharmaceutical chemists employ to design a new drug molecule. The discussions of which computational tools to use and when and how to use them are all based on typical pharmaceutical industry drug design processes. Following an introduction, the book is divided into three parts: Part One, The Drug Design Process, sets forth a variety of design processes suitable for a number of different drug development scenarios and drug targets. The author demonstrates how computational techniques are typically used during the design process, helping readers choose the best computational tools to meet their goals. Part Two, Computational Tools and Techniques, offers a series of chapters, each one dedicated to a single computational technique. Readers discover the strengths and weaknesses of each technique. Moreover, the book tabulates comparative accuracy studies, giving readers an unbiased comparison of all the available techniques. Part Three, Related Topics, addresses new, emerging, and complementary technologies, including bioinformatics, simulations at the cellular and organ level, synthesis route prediction, proteomics, and prodrug approaches. The book's accompanying CD-ROM, a special feature, offers graphics of the molecular structures and dynamic reactions discussed in the book as well as demos from computational drug design software companies. Computational Drug Design is ideal for both students and professionals in drug design, helping them choose and take full advantage of the best computational tools available. Note: CD-ROM/DVD and other supplementary materials are not included as part of eBook file.

Crop Improvement

Author : Pankaj Kumar
Publisher : CRC Press
ISBN 13 : 1000381234
Total Pages : 270 pages
Book Rating : 4.0/5 (3 download)

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Book Synopsis Crop Improvement by : Pankaj Kumar

Download or read book Crop Improvement written by Pankaj Kumar and published by CRC Press. This book was released on 2021-06-30 with total page 270 pages. Available in PDF, EPUB and Kindle. Book excerpt: Crop Improvement: Biotechnological Advances – Biomedical Science The field of biotechnology is advancing at a fast pace. The availability of low-cost DNA/genome sequencing technologies has led to the discovery and functional characterization of myriad of genes imparting stress tolerance and quality traits. The ‘omics’ group of technologies including genomics, proteomics, transcriptomics and metabolomics has revolutionized the agricultural biotechnology sector. The Nobel Prize-winning technology, such as the genome editing technique, is being employed to edit various gene functions in plants aiding in crop improvement. This technology may be adopted very quickly by consumers compared with the transgenic technique because the genome-edited plants have no adverse effects on the genome of the plant itself and on the environment and related species/non-target organisms. In this book, authors have attempted to compile the latest techniques of agricultural biotechnology and their applications in crop improvement. Certain chapters have been dedicated to describe the use of nanotechnology, a fast emerging new technique in the agriculture sector. Features Development, potential and safety issues in biotechnology Advances in genomics, proteomics and transcriptomics in agriculture Protein bioinformatics and its applications Genetically modified (GM) technology and its implications Genome editing in crop improvement Marker-assisted selection (MAS) in crop improvement Mutation breeding Cryobiotechnology Nanotechnology and biosensors This book includes real-world examples and applications making it accessible to a broader interdisciplinary readership. We hope that it will serve as a reference book for researchers engaged in molecular biology and biotechnology and will act as a ready reckoner for postgraduate (PG) students in the biotechnology discipline.

Access and Benefit Sharing of Genetic Resources, Information and Traditional Knowledge

Author : Charles Lawson
Publisher : Taylor & Francis
ISBN 13 : 1000730077
Total Pages : 247 pages
Book Rating : 4.0/5 (7 download)

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Book Synopsis Access and Benefit Sharing of Genetic Resources, Information and Traditional Knowledge by : Charles Lawson

Download or read book Access and Benefit Sharing of Genetic Resources, Information and Traditional Knowledge written by Charles Lawson and published by Taylor & Francis. This book was released on 2022-10-14 with total page 247 pages. Available in PDF, EPUB and Kindle. Book excerpt: Addressing the management of genetic resources, this book offers a new assessment of the contemporary Access and Benefit Sharing (ABS) regime. Debates about ABS have moved on. The initial focus on the legal obligations established by international agreements like the United Nations Convention on Biological Diversity and the form of obligations for collecting physical biological materials have now shifted into a far more complex series of disputes and challenges about the ways ABS should be implemented and enforced. These now cover a wide range of issues, including: digital sequence information, the repatriation of resources, technology transfer, traditional knowledge and cultural expressions, open access to information and knowledge, naming conventions, farmers’ rights, new schemes for accessing pandemic viruses sharing DNA sequences, and so on. Drawing together perspectives from an interdisciplinary range of leading and emerging international scholars, this book offers a new approach to the ABS landscape; as it breaks from the standard regulatory analyses in order to explore alternative solutions to the intractable issues for the Access and Benefit Sharing of genetic resources. Addressing these modern legal debates from a perspective that will appeal to both ABS scholars and those with broader legal concerns in the areas of intellectual property, food, governance, Indigenous issues, and so on, this book will be a useful resource for scholars and students as well as those in government and in international institutions working in relevant areas.

Genetic Engineering News

Author :
Publisher :
ISBN 13 :
Total Pages : 640 pages
Book Rating : 4.F/5 ( download)

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Book Synopsis Genetic Engineering News by :

Download or read book Genetic Engineering News written by and published by . This book was released on 2005 with total page 640 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Dose-Response Analysis Using R

Author : Christian Ritz
Publisher : CRC Press
ISBN 13 : 1351981048
Total Pages : 227 pages
Book Rating : 4.3/5 (519 download)

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Book Synopsis Dose-Response Analysis Using R by : Christian Ritz

Download or read book Dose-Response Analysis Using R written by Christian Ritz and published by CRC Press. This book was released on 2019-07-19 with total page 227 pages. Available in PDF, EPUB and Kindle. Book excerpt: Nowadays the term dose-response is used in many different contexts and many different scientific disciplines including agriculture, biochemistry, chemistry, environmental sciences, genetics, pharmacology, plant sciences, toxicology, and zoology. In the 1940 and 1950s, dose-response analysis was intimately linked to evaluation of toxicity in terms of binary responses, such as immobility and mortality, with a limited number of doses of a toxic compound being compared to a control group (dose 0). Later, dose-response analysis has been extended to other types of data and to more complex experimental designs. Moreover, estimation of model parameters has undergone a dramatic change, from struggling with cumbersome manual operations and transformations with pen and paper to rapid calculations on any laptop. Advances in statistical software have fueled this development. Key Features: Provides a practical and comprehensive overview of dose-response analysis. Includes numerous real data examples to illustrate the methodology. R code is integrated into the text to give guidance on applying the methods. Written with minimal mathematics to be suitable for practitioners. Includes code and datasets on the book’s GitHub: https://github.com/DoseResponse. This book focuses on estimation and interpretation of entirely parametric nonlinear dose-response models using the powerful statistical environment R. Specifically, this book introduces dose-response analysis of continuous, binomial, count, multinomial, and event-time dose-response data. The statistical models used are partly special cases, partly extensions of nonlinear regression models, generalized linear and nonlinear regression models, and nonlinear mixed-effects models (for hierarchical dose-response data). Both simple and complex dose-response experiments will be analyzed.

Data Mining in Drug Discovery

Author : Rémy D. Hoffmann
Publisher : Wiley-VCH
ISBN 13 : 9783527329847
Total Pages : 0 pages
Book Rating : 4.3/5 (298 download)

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Book Synopsis Data Mining in Drug Discovery by : Rémy D. Hoffmann

Download or read book Data Mining in Drug Discovery written by Rémy D. Hoffmann and published by Wiley-VCH. This book was released on 2013-12-04 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: Written for drug developers rather than computer scientists, this monograph adopts a systematic approach to mining scientifi c data sources, covering all key steps in rational drug discovery, from compound screening to lead compound selection and personalized medicine. Clearly divided into four sections, the first part discusses the different data sources available, both commercial and non-commercial, while the next section looks at the role and value of data mining in drug discovery. The third part compares the most common applications and strategies for polypharmacology, where data mining can substantially enhance the research effort. The final section of the book is devoted to systems biology approaches for compound testing. Throughout the book, industrial and academic drug discovery strategies are addressed, with contributors coming from both areas, enabling an informed decision on when and which data mining tools to use for one's own drug discovery project.

A Semantic Web Primer, third edition

Author : Grigoris Antoniou
Publisher : MIT Press
ISBN 13 : 0262304686
Total Pages : 287 pages
Book Rating : 4.2/5 (623 download)

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Book Synopsis A Semantic Web Primer, third edition by : Grigoris Antoniou

Download or read book A Semantic Web Primer, third edition written by Grigoris Antoniou and published by MIT Press. This book was released on 2012-09-07 with total page 287 pages. Available in PDF, EPUB and Kindle. Book excerpt: A new edition of the widely used guide to the key ideas, languages, and technologies of the Semantic Web The development of the Semantic Web, with machine-readable content, has the potential to revolutionize the World Wide Web and its uses. A Semantic Web Primer provides an introduction and guide to this continuously evolving field, describing its key ideas, languages, and technologies. Suitable for use as a textbook or for independent study by professionals, it concentrates on undergraduate-level fundamental concepts and techniques that will enable readers to proceed with building applications on their own and includes exercises, project descriptions, and annotated references to relevant online materials. The third edition of this widely used text has been thoroughly updated, with significant new material that reflects a rapidly developing field. Treatment of the different languages (OWL2, rules) expands the coverage of RDF and OWL, defining the data model independently of XML and including coverage of N3/Turtle and RDFa. A chapter is devoted to OWL2, the new W3C standard. This edition also features additional coverage of the query language SPARQL, the rule language RIF and the possibility of interaction between rules and ontology languages and applications. The chapter on Semantic Web applications reflects the rapid developments of the past few years. A new chapter offers ideas for term projects. Additional material, including updates on the technological trends and research directions, can be found at http://www.semanticwebprimer.org.