Artificial Intelligence For Chemical Sciences
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Artificial Intelligence For Chemical Sciences
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Author : Shrikaant Kulkarni
language : en
Publisher: CRC Press
Release Date : 2025-05-09
Artificial Intelligence For Chemical Sciences written by Shrikaant Kulkarni and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2025-05-09 with Computers categories.
Chemists are increasingly employing artificial intelligence (AI) for diversified applications. This new volume explores the use of AI and its various computer-aided applications for the design of new drugs and chemical products, for toxicity prediction and biodegradation, and for fault diagnosis in chemical processing plants. The volume explores knowledge and reasoning-based approaches of the field of chemintelligence to make predictions about the right molecules with given structures and properties as precursors or starting materials, reaction pathways, reaction conditions, improvement in reaction efficiency and selectivity, toxicity, metabolism, biodegradation, and more.
Machine Learning In Chemistry
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Author : Hugh M. Cartwright
language : en
Publisher: Royal Society of Chemistry
Release Date : 2020-07-15
Machine Learning In Chemistry written by Hugh M. Cartwright and has been published by Royal Society of Chemistry this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-07-15 with Science categories.
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.
Machine Learning In Chemistry
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Author : Jon Paul Janet
language : en
Publisher: American Chemical Society
Release Date : 2020-05-28
Machine Learning In Chemistry written by Jon Paul Janet and has been published by American Chemical Society this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-05-28 with Science categories.
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
Artificial Intelligence In Chemical Engineering
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Author : Thomas E. Quantrille
language : en
Publisher: Elsevier
Release Date : 2012-12-02
Artificial Intelligence In Chemical Engineering written by Thomas E. Quantrille and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-12-02 with Technology & Engineering categories.
Artificial intelligence (AI) is the part of computer science concerned with designing intelligent computer systems (systems that exhibit characteristics we associate with intelligence in human behavior). This book is the first published textbook of AI in chemical engineering, and provides broad and in-depth coverage of AI programming, AI principles, expert systems, and neural networks in chemical engineering. This book introduces the computational means and methodologies that are used to enable computers to perform intelligent engineering tasks. A key goal is to move beyond the principles of AI into its applications in chemical engineering. After reading this book, a chemical engineer will have a firm grounding in AI, know what chemical engineering applications of AI exist today, and understand the current challenges facing AI in engineering. - Allows the reader to learn AI quickly using inexpensive personal computers - Contains a large number of illustrative examples, simple exercises, and complex practice problems and solutions - Includes a computer diskette for an illustrated case study - Demonstrates an expert system for separation synthesis (EXSEP) - Presents a detailed review of published literature on expert systems and neural networks in chemical engineering
Artificial Intelligence In Chemistry
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Author : Z. Hippe
language : en
Publisher: Elsevier
Release Date : 2013-10-22
Artificial Intelligence In Chemistry written by Z. Hippe and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-10-22 with Computers categories.
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.
Using Artificial Intelligence In Chemistry And Biology
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Author : Hugh Cartwright
language : en
Publisher: CRC Press
Release Date : 2008-05-05
Using Artificial Intelligence In Chemistry And Biology written by Hugh Cartwright and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2008-05-05 with Science categories.
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
Data Science In Chemistry
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Author : Thorsten Gressling
language : en
Publisher: Walter de Gruyter GmbH & Co KG
Release Date : 2020-11-23
Data Science In Chemistry written by Thorsten Gressling and has been published by Walter de Gruyter GmbH & Co KG this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-11-23 with Technology & Engineering categories.
The ever-growing wealth of information has led to the emergence of a fourth paradigm of science. This new field of activity – data science – includes computer science, mathematics and a given specialist domain. This book focuses on chemistry, explaining how to use data science for deep insights and take chemical research and engineering to the next level. It covers modern aspects like Big Data, Artificial Intelligence and Quantum computing.
Applications Of Artificial Intelligence In Chemistry
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Author : Hugh M. Cartwright
language : en
Publisher: Oxford University Press on Demand
Release Date : 1993
Applications Of Artificial Intelligence In Chemistry written by Hugh M. Cartwright and has been published by Oxford University Press on Demand this book supported file pdf, txt, epub, kindle and other format this book has been release on 1993 with Computers categories.
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.
Applications Of Artificial Intelligence In Process Systems Engineering
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Author : Jingzheng Ren
language : en
Publisher: Elsevier
Release Date : 2021-06-17
Applications Of Artificial Intelligence In Process Systems Engineering written by Jingzheng Ren and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2021-06-17 with Technology & Engineering categories.
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