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Book Applications of Artificial Intelligence for Organic Chemistry

Download or read book Applications of Artificial Intelligence for Organic Chemistry written by Robert K. Lindsay and published by McGraw-Hill Companies. This book was released on 1980 with total page 216 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Book Applications of Artificial Intelligence in Chemistry

Download or read book Applications of Artificial Intelligence in Chemistry written by Hugh M. Cartwright and published by Oxford University Press on Demand. This book was released on 1993 with total page 92 pages. Available in PDF, EPUB and Kindle. Book excerpt: It is clear that the techniques of artificial intelligence are useful for more than just the development of thinking machines; they constitute powerful problem-solving tools in their own right and expand the range of problems in science that can be tackled. AI methods can now be used on a routine basis by scientists in academic research as well as the commercial world, it is therefore vital that science students are exposed to, and understand these techniques. This is the first book topresent an introduction to AI methods for science undergraduates. The examples are drawn mainly from chemistry but the book is suited to a general scientific audience wanting to know more about how computers can help to understand and interpret science.

Book Artificial Intelligence in Chemistry

Download or read book Artificial Intelligence in Chemistry written by Z. Hippe and published by Elsevier. This book was released on 2013-10-22 with total page 292 pages. Available in PDF, EPUB and Kindle. Book excerpt: This comprehensive overview of the application of artificial intelligence methods (AI) in chemistry contains an in-depth summary of the most interesting achievements of modern AI, namely, problem-solving in molecular structure elucidation and in syntheses design. The book provides a brief history of AI as a branch of computer science. It also gives an overview of the basic methods employed for searching the solution space (thoroughly exemplified by chemical problems), together with a profound and expert discussion on many questions that may be raised by modern chemists wishing to apply computer-assisted methods in their own research. Moreover, it includes a survey of the most important literature references, covering all essential research in automated interpretation of molecular spectra to elucidate a structure and in syntheses design. A glossary of basic terms from computer technology for chemists is appended. This book is intended to make the emerging field of artificial intelligence understandable and accessible for chemists, who are not trained in computer methods for solving chemical problems. The author discusses step-by-step basic algorithms for structure elucidation and many aspects of the automated design of organic syntheses in order to integrate this fascinating technology into current chemical knowledge.

Book Machine Learning in Chemistry

Download or read book Machine Learning in Chemistry written by Hugh M. Cartwright and published by Royal Society of Chemistry. This book was released on 2020-07-15 with total page 564 pages. Available in PDF, EPUB and Kindle. Book excerpt: Progress in the application of machine learning (ML) to the physical and life sciences has been rapid. A decade ago, the method was mainly of interest to those in computer science departments, but more recently ML tools have been developed that show significant potential across wide areas of science. There is a growing consensus that ML software, and related areas of artificial intelligence, may, in due course, become as fundamental to scientific research as computers themselves. Yet a perception remains that ML is obscure or esoteric, that only computer scientists can really understand it, and that few meaningful applications in scientific research exist. This book challenges that view. With contributions from leading research groups, it presents in-depth examples to illustrate how ML can be applied to real chemical problems. Through these examples, the reader can both gain a feel for what ML can and cannot (so far) achieve, and also identify characteristics that might make a problem in physical science amenable to a ML approach. This text is a valuable resource for scientists who are intrigued by the power of machine learning and want to learn more about how it can be applied in their own field.

Book Machine Learning in Chemistry

Download or read book Machine Learning in Chemistry written by Hugh M Cartwright and published by Royal Society of Chemistry. This book was released on 2020-07-15 with total page 564 pages. Available in PDF, EPUB and Kindle. Book excerpt: Progress in the application of machine learning (ML) to the physical and life sciences has been rapid. A decade ago, the method was mainly of interest to those in computer science departments, but more recently ML tools have been developed that show significant potential across wide areas of science. There is a growing consensus that ML software, and related areas of artificial intelligence, may, in due course, become as fundamental to scientific research as computers themselves. Yet a perception remains that ML is obscure or esoteric, that only computer scientists can really understand it, and that few meaningful applications in scientific research exist. This book challenges that view. With contributions from leading research groups, it presents in-depth examples to illustrate how ML can be applied to real chemical problems. Through these examples, the reader can both gain a feel for what ML can and cannot (so far) achieve, and also identify characteristics that might make a problem in physical science amenable to a ML approach. This text is a valuable resource for scientists who are intrigued by the power of machine learning and want to learn more about how it can be applied in their own field.

Book Artificial Intelligence in Chemistry

Download or read book Artificial Intelligence in Chemistry written by José S. Torrecilla and published by Frontiers Media SA. This book was released on 2020-07-17 with total page 89 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Book Machine Learning in Chemistry

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

Book Computational and Data Driven Chemistry Using Artificial Intelligence

Download or read book Computational and Data Driven Chemistry Using Artificial Intelligence written by Takashiro Akitsu and published by Elsevier. This book was released on 2021-10-08 with total page 280 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational and Data-Driven Chemistry Using Artificial Intelligence: Volume 1: Fundamentals, Methods and Applications highlights fundamental knowledge and current developments in the field, giving readers insight into how these tools can be harnessed to enhance their own work. Offering the ability to process large or complex data-sets, compare molecular characteristics and behaviors, and help researchers design or identify new structures, Artificial Intelligence (AI) holds huge potential to revolutionize the future of chemistry. Volume 1 explores the fundamental knowledge and current methods being used to apply AI across a whole host of chemistry applications. Drawing on the knowledge of its expert team of global contributors, the book offers fascinating insight into this rapidly developing field and serves as a great resource for all those interested in exploring the opportunities afforded by the intersection of chemistry and AI in their own work. Part 1 provides foundational information on AI in chemistry, with an introduction to the field and guidance on database usage and statistical analysis to help support newcomers to the field. Part 2 then goes on to discuss approaches currently used to address problems in broad areas such as computational and theoretical chemistry; materials, synthetic and medicinal chemistry; crystallography, analytical chemistry, and spectroscopy. Finally, potential future trends in the field are discussed. Provides an accessible introduction to the current state and future possibilities for AI in chemistry Explores how computational chemistry methods and approaches can both enhance and be enhanced by AI Highlights the interdisciplinary and broad applicability of AI tools across a wide range of chemistry fields

Book Applications of Artificial Intelligence in Chemistry

Download or read book Applications of Artificial Intelligence in Chemistry written by Hugh M. Cartwright and published by Oxford University Press, USA. This book was released on 1993 with total page 104 pages. Available in PDF, EPUB and Kindle. Book excerpt: Artificial intelligence is not just about making machines think; it is also a powerful problem-solving tool. Many scientific problems can be solved only with difficulty using conventional methods, yet these same problems may be ideally suited to attack using artificial intelligence. This book, for college-level students in any science discipline, introduces these intriguing and powerful techniques, and discusses their growing impact upon science.

Book Artificial Intelligence Applications in Chemistry

Download or read book Artificial Intelligence Applications in Chemistry written by Thomas H. Pierce and published by . This book was released on 1986 with total page 418 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Book Artificial Intelligence in Drug Discovery

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.

Book Applications of Artificial Intelligence in Process Systems Engineering

Download or read book Applications of Artificial Intelligence in Process Systems Engineering written by Jingzheng Ren and published by Elsevier. This book was released on 2021-06-05 with total page 542 pages. Available in PDF, EPUB and Kindle. Book excerpt: Applications of Artificial Intelligence in Process Systems Engineering offers a broad perspective on the issues related to artificial intelligence technologies and their applications in chemical and process engineering. The book comprehensively introduces the methodology and applications of AI technologies in process systems engineering, making it an indispensable reference for researchers and students. As chemical processes and systems are usually non-linear and complex, thus making it challenging to apply AI methods and technologies, this book is an ideal resource on emerging areas such as cloud computing, big data, the industrial Internet of Things and deep learning. With process systems engineering's potential to become one of the driving forces for the development of AI technologies, this book covers all the right bases. Explains the concept of machine learning, deep learning and state-of-the-art intelligent algorithms Discusses AI-based applications in process modeling and simulation, process integration and optimization, process control, and fault detection and diagnosis Gives direction to future development trends of AI technologies in chemical and process engineering

Book Artificial Intelligence Applications in Chemistry

Download or read book Artificial Intelligence Applications in Chemistry written by Thomas H. Pierce and published by . This book was released on 1986 with total page 410 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Book Using Artificial Intelligence in Chemistry and Biology

Download or read book Using Artificial Intelligence in Chemistry and Biology written by Hugh Cartwright and published by CRC Press. This book was released on 2008-05-05 with total page 358 pages. Available in PDF, EPUB and Kindle. Book excerpt: Possessing great potential power for gathering and managing data in chemistry, biology, and other sciences, Artificial Intelligence (AI) methods are prompting increased exploration into the most effective areas for implementation. A comprehensive resource documenting the current state-of-the-science and future directions of the field is required to

Book Fundamentals and Applications of Organic Electrochemistry

Download or read book Fundamentals and Applications of Organic Electrochemistry written by Toshio Fuchigami and published by John Wiley & Sons. This book was released on 2014-11-10 with total page 238 pages. Available in PDF, EPUB and Kindle. Book excerpt: This textbook is an accessible overview of the broad field of organic electrochemistry, covering the fundamentals and applications of contemporary organic electrochemistry. The book begins with an introduction to the fundamental aspects of electrode electron transfer and methods for the electrochemical measurement of organic molecules. It then goes on to discuss organic electrosynthesis of molecules and macromolecules, including detailed experimental information for the electrochemical synthesis of organic compounds and conducting polymers. Later chapters highlight new methodology for organic electrochemical synthesis, for example electrolysis in ionic liquids, the application to organic electronic devices such as solar cells and LEDs, and examples of commercialized organic electrode processes. Appendices present useful supplementary information including experimental examples of organic electrosynthesis, and tables of physical data (redox potentials of various organic solvents and organic compounds and physical properties of various organic solvents).

Book Artificial Intelligence in Drug Design

Download or read book Artificial Intelligence in Drug Design written by Alexander Heifetz and published by . This book was released on 2021 with total page 529 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.

Book Readings in Artificial Intelligence

Download or read book Readings in Artificial Intelligence written by Bonnie Lynn Webber and published by Morgan Kaufmann. This book was released on 2014-05-12 with total page 558 pages. Available in PDF, EPUB and Kindle. Book excerpt: Readings in Artificial Intelligence focuses on the principles, methodologies, advancements, and approaches involved in artificial intelligence. The selection first elaborates on representations of problems of reasoning about actions, a problem similarity approach to devising heuristics, and optimal search strategies for speech understanding control. Discussions focus on comparison with existing speech understanding systems, empirical comparisons of the different strategies, analysis of distance function approximation, problem similarity, problems of reasoning about action, search for solution in the reduction system, and relationship between the initial search space and the higher level search space. The book then examines consistency in networks of relations, non-resolution theorem proving, using rewriting rules for connection graphs to prove theorems, and closed world data bases. The manuscript tackles a truth maintenance system, elements of a plan-based theory of speech acts, and reasoning about knowledge and action. Topics include problems in reasoning about knowledge, integration knowledge and action, models of plans, compositional adequacy, truth maintenance mechanisms, dialectical arguments, and assumptions and the problem of control. The selection is a valuable reference for researchers wanting to explore the field of artificial intelligence.