Download or read book Computational Intelligence and Bioengineering written by Antonina Starita and published by IOS Press. This book was released on 2009 with total page 232 pages. Available in PDF, EPUB and Kindle. Book excerpt: "This volume, presented during a symposium in memory of Antonina Starita which was held in Pisa at the Department of Computer Science."--Pref.

Download or read book A Primer on QSAR QSPR Modeling written by Kunal Roy and published by Springer. This book was released on 2015-04-11 with total page 129 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Download or read book SPE ANTEC 1999 Proceedings written by Spe and published by CRC Press. This book was released on 1999-04-29 with total page 1430 pages. Available in PDF, EPUB and Kindle. Book excerpt: Volume 2 of the conference proceedings of the SPE/Antac on 'Plastics Bridging the Millennia- subtopic of 'Materials', held on the 2-6 May 1999 in New York City, USA.

Download or read book In Silico Approaches to Macromolecular Chemistry written by Minu Elizabeth Thomas and published by Elsevier. This book was released on 2023-02-28 with total page 628 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational approaches offer researchers unique insights into the structure, characteristics, and properties of macromolecules. However, with applications across a broad range of areas, various methods have been developed for exploring macromolecules in in silico; therefore, it can be difficult for researchers to select the most appropriate method for their specific needs. Covering both biopolymers and synthetic polymers, In-Silico Approaches to Macromolecular Chemistry familiarizes readers with the theoretical tools and software appropriate for such studies. In addition to providing essential background knowledge on both computational tools and macromolecules, the book presents in-depth studies of in silico macromolecule chemistry, discusses and compares these with experimental studies, and highlights the future potential for such approaches. Written by specialists in their respective fields, this book helps students, researchers, and industry professionals gain a clear overview of the field, and furnishes them with the knowledge needed to understand and select the most appropriate tools for conducting and analyzing computational studies. - Highlights in silico studies of both bio and synthetic macromolecules in one book - Supports both learners and experts though a combination of detailed guidance and perspectives on the future potential for in silico approaches to macromolecules - Familiarizes readers with theoretical tools and software helping them select the best approach for their specific needs

Download or read book Probabilistic Graphical Models written by Daphne Koller and published by MIT Press. This book was released on 2009-07-31 with total page 1270 pages. Available in PDF, EPUB and Kindle. Book excerpt: A general framework for constructing and using probabilistic models of complex systems that would enable a computer to use available information for making decisions. Most tasks require a person or an automated system to reason—to reach conclusions based on available information. The framework of probabilistic graphical models, presented in this book, provides a general approach for this task. The approach is model-based, allowing interpretable models to be constructed and then manipulated by reasoning algorithms. These models can also be learned automatically from data, allowing the approach to be used in cases where manually constructing a model is difficult or even impossible. Because uncertainty is an inescapable aspect of most real-world applications, the book focuses on probabilistic models, which make the uncertainty explicit and provide models that are more faithful to reality. Probabilistic Graphical Models discusses a variety of models, spanning Bayesian networks, undirected Markov networks, discrete and continuous models, and extensions to deal with dynamical systems and relational data. For each class of models, the text describes the three fundamental cornerstones: representation, inference, and learning, presenting both basic concepts and advanced techniques. Finally, the book considers the use of the proposed framework for causal reasoning and decision making under uncertainty. The main text in each chapter provides the detailed technical development of the key ideas. Most chapters also include boxes with additional material: skill boxes, which describe techniques; case study boxes, which discuss empirical cases related to the approach described in the text, including applications in computer vision, robotics, natural language understanding, and computational biology; and concept boxes, which present significant concepts drawn from the material in the chapter. Instructors (and readers) can group chapters in various combinations, from core topics to more technically advanced material, to suit their particular needs.

Download or read book QSAR in Safety Evaluation and Risk Assessment written by Huixiao Hong and published by Elsevier. This book was released on 2023-08-12 with total page 566 pages. Available in PDF, EPUB and Kindle. Book excerpt: QSAR in Safety Evaluation and Risk Assessment provides comprehensive coverage on QSAR methods, tools, data sources, and models focusing on applications in products safety evaluation and chemicals risk assessment. Organized into five parts, the book covers almost all aspects of QSAR modeling and application. Topics in the book include methods of QSAR, from both scientific and regulatory viewpoints; data sources available for facilitating QSAR models development; software tools for QSAR development; and QSAR models developed for assisting safety evaluation and risk assessment. Chapter contributors are authored by a lineup of active scientists in this field. The chapters not only provide professional level technical summarizations but also cover introductory descriptions for all aspects of QSAR for safety evaluation and risk assessment. - Provides comprehensive content about the QSAR techniques and models in facilitating the safety evaluation of drugs and consumer products and risk assesment of environmental chemicals - Includes some of the most cutting-edge methodologies such as deep learning and machine learning for QSAR - Offers detailed procedures of modeling and provides examples of each model's application in real practice

Download or read book Bulletin of the Atomic Scientists written by and published by . This book was released on 1961-05 with total page 88 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Bulletin of the Atomic Scientists is the premier public resource on scientific and technological developments that impact global security. Founded by Manhattan Project Scientists, the Bulletin's iconic "Doomsday Clock" stimulates solutions for a safer world.

Download or read book Logit Models from Economics and Other Fields written by J. S. Cramer and published by Cambridge University Press. This book was released on 2003-08-21 with total page 188 pages. Available in PDF, EPUB and Kindle. Book excerpt: Logistic models are widely used in economics and other disciplines and are easily available as part of many statistical software packages. This text for graduates, practitioners and researchers in economics, medicine and statistics, which was originally published in 2003, explains the theory underlying logit analysis and gives a thorough explanation of the technique of estimation. The author has provided many empirical applications as illustrations and worked examples. A large data set - drawn from Dutch car ownership statistics - is provided online for readers to practise the techniques they have learned. Several varieties of logit model have been developed independently in various branches of biology, medicine and other disciplines. This book takes its inspiration from logit analysis as it is practised in economics, but it also pays due attention to developments in these other fields.

Download or read book Scientific and Technical Aerospace Reports written by and published by . This book was released on 1994 with total page 880 pages. Available in PDF, EPUB and Kindle. Book excerpt: Lists citations with abstracts for aerospace related reports obtained from world wide sources and announces documents that have recently been entered into the NASA Scientific and Technical Information Database.

Download or read book Engineering of High Performance Textiles written by Menghe Miao and published by Woodhead Publishing. This book was released on 2017-09-07 with total page 546 pages. Available in PDF, EPUB and Kindle. Book excerpt: Engineering of High-Performance Textiles discusses the fiber-to-fabric engineering of various textile products. Each chapter focuses on practical guidelines and approaches for common issues in textile research and development. The book discusses high-performance fibers and yarns before presenting the engineering fabrics and architectures needed for particular properties required of high-performance textiles. Properties covered include moisture absorption, pilling resistant knitwear, fire retardant fabrics, camouflage fabrics, insect repellent fabrics, filtration, and many more. Coordinated by two highly distinguished editors, this book is a practical resource for all those engaged in textile research, development and production, for both traditional and new-generation textile products, and for academics involved in research into textile science and technology. - Offers a range of perspectives on high-performance textiles from an international team of authors with diverse expertise in academic research, textile development and manufacture - Provides systematic and comprehensive coverage of the topic from fabric construction, through product development, to the range of current and potential applications that exploit high-performance textile technology - Led by two high-profile editors with many years' experience in engineering high-performance textiles

Download or read book Machine Learning Meets Quantum Physics written by Kristof T. Schütt and published by Springer Nature. This book was released on 2020-06-03 with total page 473 pages. Available in PDF, EPUB and Kindle. Book excerpt: Designing molecules and materials with desired properties is an important prerequisite for advancing technology in our modern societies. This requires both the ability to calculate accurate microscopic properties, such as energies, forces and electrostatic multipoles of specific configurations, as well as efficient sampling of potential energy surfaces to obtain corresponding macroscopic properties. Tools that can provide this are accurate first-principles calculations rooted in quantum mechanics, and statistical mechanics, respectively. Unfortunately, they come at a high computational cost that prohibits calculations for large systems and long time-scales, thus presenting a severe bottleneck both for searching the vast chemical compound space and the stupendously many dynamical configurations that a molecule can assume. To overcome this challenge, recently there have been increased efforts to accelerate quantum simulations with machine learning (ML). This emerging interdisciplinary community encompasses chemists, material scientists, physicists, mathematicians and computer scientists, joining forces to contribute to the exciting hot topic of progressing machine learning and AI for molecules and materials. The book that has emerged from a series of workshops provides a snapshot of this rapidly developing field. It contains tutorial material explaining the relevant foundations needed in chemistry, physics as well as machine learning to give an easy starting point for interested readers. In addition, a number of research papers defining the current state-of-the-art are included. The book has five parts (Fundamentals, Incorporating Prior Knowledge, Deep Learning of Atomistic Representations, Atomistic Simulations and Discovery and Design), each prefaced by editorial commentary that puts the respective parts into a broader scientific context.

Download or read book Orbital Interactions in Chemistry written by Thomas A. Albright and published by John Wiley & Sons. This book was released on 2013-04-08 with total page 853 pages. Available in PDF, EPUB and Kindle. Book excerpt: Explains the underlying structure that unites all disciplinesin chemistry Now in its second edition, this book explores organic,organometallic, inorganic, solid state, and materials chemistry,demonstrating how common molecular orbital situations arisethroughout the whole chemical spectrum. The authors explore therelationships that enable readers to grasp the theory thatunderlies and connects traditional fields of study withinchemistry, thereby providing a conceptual framework with which tothink about chemical structure and reactivity problems. Orbital Interactions in Chemistry begins by developingmodels and reviewing molecular orbital theory. Next, the bookexplores orbitals in the organic-main group as well as in solids.Lastly, the book examines orbital interaction patterns that occurin inorganic-organometallic fields as well as clusterchemistry, surface chemistry, and magnetism in solids. This Second Edition has been thoroughly revised andupdated with new discoveries and computational tools since thepublication of the first edition more than twenty-five years ago.Among the new content, readers will find: * Two new chapters dedicated to surface science and magneticproperties * Additional examples of quantum calculations, focusing oninorganic and organometallic chemistry * Expanded treatment of group theory * New results from photoelectron spectroscopy Each section ends with a set of problems, enabling readers totest their grasp of new concepts as they progress through the text.Solutions are available on the book's ftp site. Orbital Interactions in Chemistry is written for bothresearchers and students in organic, inorganic, solid state,materials, and computational chemistry. All readers will discoverthe underlying structure that unites all disciplines inchemistry.

Download or read book Artificial Intelligence in Drug Design written by Alexander Heifetz and published by Humana. This book was released on 2022-11-05 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume looks at applications of artificial intelligence (AI), machine learning (ML), and deep learning (DL) in drug design. The chapters in this book describe how AI/ML/DL approaches can be applied to accelerate and revolutionize traditional drug design approaches such as: structure- and ligand-based, augmented and multi-objective de novo drug design, SAR and big data analysis, prediction of binding/activity, ADMET, pharmacokinetics and drug-target residence time, precision medicine and selection of favorable chemical synthetic routes. How broadly are these approaches applied and where do they maximally impact productivity today and potentially in the near future. Written in the highly successful Methods in Molecular Biology series format, chapters include introductions to their respective topics, lists of the necessary software and tools, step-by-step, readily reproducible modeling protocols, and tips on troubleshooting and avoiding known pitfalls. Cutting-edge and unique, Artificial Intelligence in Drug Design is a valuable resource for structural and molecular biologists, computational and medicinal chemists, pharmacologists and drug designers.

Download or read book Comprehensive Biomedical Physics written by and published by Newnes. This book was released on 2014-07-25 with total page 4052 pages. Available in PDF, EPUB and Kindle. Book excerpt: Comprehensive Biomedical Physics, Ten Volume Set is a new reference work that provides the first point of entry to the literature for all scientists interested in biomedical physics. It is of particularly use for graduate and postgraduate students in the areas of medical biophysics. This Work is indispensable to all serious readers in this interdisciplinary area where physics is applied in medicine and biology. Written by leading scientists who have evaluated and summarized the most important methods, principles, technologies and data within the field, Comprehensive Biomedical Physics is a vital addition to the reference libraries of those working within the areas of medical imaging, radiation sources, detectors, biology, safety and therapy, physiology, and pharmacology as well as in the treatment of different clinical conditions and bioinformatics. This Work will be valuable to students working in all aspect of medical biophysics, including medical imaging and biomedical radiation science and therapy, physiology, pharmacology and treatment of clinical conditions and bioinformatics. The most comprehensive work on biomedical physics ever published Covers one of the fastest growing areas in the physical sciences, including interdisciplinary areas ranging from advanced nuclear physics and quantum mechanics through mathematics to molecular biology and medicine Contains 1800 illustrations, all in full color

Download or read book Handbook of Research on Machine Learning Applications and Trends Algorithms Methods and Techniques written by Olivas, Emilio Soria and published by IGI Global. This book was released on 2009-08-31 with total page 852 pages. Available in PDF, EPUB and Kindle. Book excerpt: "This book investiges machine learning (ML), one of the most fruitful fields of current research, both in the proposal of new techniques and theoretic algorithms and in their application to real-life problems"--Provided by publisher.

Download or read book Applied mechanics reviews written by and published by . This book was released on 1948 with total page 400 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Machine Learning in Chemistry written by Jon Paul Janet and published by American Chemical Society. This book was released on 2020-05-28 with total page 189 pages. Available in PDF, EPUB and Kindle. Book excerpt: Recent advances in machine learning or artificial intelligence for vision and natural language processing that have enabled the development of new technologies such as personal assistants or self-driving cars have brought machine learning and artificial intelligence to the forefront of popular culture. The accumulation of these algorithmic advances along with the increasing availability of large data sets and readily available high performance computing has played an important role in bringing machine learning applications to such a wide range of disciplines. Given the emphasis in the chemical sciences on the relationship between structure and function, whether in biochemistry or in materials chemistry, adoption of machine learning by chemistsderivations where they are important