Computational And Data Driven Chemistry Using Artificial Intelligence
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Computational And Data Driven Chemistry Using Artificial Intelligence
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Author : Takashiro Akitsu
language : en
Publisher: Elsevier
Release Date : 2021-10-08
Computational And Data Driven Chemistry Using Artificial Intelligence written by Takashiro Akitsu and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2021-10-08 with Science categories.
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
Machine Learning In Chemistry
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Author : Edward O. Pyzer-Knapp
language : en
Publisher:
Release Date : 2019
Machine Learning In Chemistry written by Edward O. Pyzer-Knapp and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2019 with Chemistry categories.
Big Data Analysis And Artificial Intelligence For Medical Sciences
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Author : Paola Lecca
language : en
Publisher: John Wiley & Sons
Release Date : 2024-07-29
Big Data Analysis And Artificial Intelligence For Medical Sciences written by Paola Lecca and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2024-07-29 with Medical categories.
Big Data Analysis and Artificial Intelligence for Medical Sciences Overview of the current state of the art on the use of artificial intelligence in medicine and biology Big Data Analysis and Artificial Intelligence for Medical Sciences demonstrates the efforts made in the fields of Computational Biology and medical sciences to design and implement robust, accurate, and efficient computer algorithms for modeling the behavior of complex biological systems much faster than using traditional modeling approaches based solely on theory. With chapters written by international experts in the field of medical and biological research, Big Data Analysis and Artificial Intelligence for Medical Sciences includes information on: Studies conducted by the authors which are the result of years of interdisciplinary collaborations with clinicians, computer scientists, mathematicians, and engineers Differences between traditional computational approaches to data processing (those of mathematical biology) versus the experiment-data-theory-model-validation cycle Existing approaches to the use of big data in the healthcare industry, such as through IBM’s Watson Oncology, Microsoft’s Hanover, and Google’s DeepMind Difficulties in the field that have arisen as a result of technological changes, and potential future directions these changes may take A timely and up-to-date resource on the integration of artificial intelligence in medicine and biology, Big Data Analysis and Artificial Intelligence for Medical Sciences is of great benefit not only to professional scholars, but also MSc or PhD program students eager to explore advancement in the field.
Chemistry At The Frontier With Physics And Computer Science
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Author : Sergio Rampino
language : en
Publisher: Elsevier
Release Date : 2022-05-16
Chemistry At The Frontier With Physics And Computer Science written by Sergio Rampino and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2022-05-16 with Science categories.
Chemistry at the Frontier with Physics and Computer Science: Theory and Computation shows how chemical concepts relate to their physical counterparts and can be effectively explored via computational tools. It provides a holistic overview of the intersection of these fields and offers practical examples on how to solve a chemical problem from a theoretical and computational perspective, going from theory to models, methods and implementation. Sections cover both sides of the Born-Oppenheimer approximation (nuclear dynamics and electronic structure), chemical reactions, chemical bonding, and cover theory to practice on three related physical problems (wavepacket dynamics, Hartree-Fock equations and electron-cloud redistribution). Drawing on the interdisciplinary knowledge of its expert author, this book provides a contemporary guide to theoretical and computational chemistry for all those working in chemical physics, physical chemistry and related fields. - Combines a 'big picture' overview of chemistry as it relates to physics and computer science, including detailed guidance on tackling chemistry problems from both theoretical and computational perspectives - Treats nuclear dynamics and electronic structure on the same footing in discussions of the Born-Oppenheimer approximation - Includes examples of scientific programming in modern Fortran for problems related to the modeling of chemical reaction dynamics and the analysis of chemical bonding
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.
Application Of Artificial Intelligence In Wastewater Treatment
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Author : Shikha Gulati
language : en
Publisher: Springer Nature
Release Date : 2024-09-09
Application Of Artificial Intelligence In Wastewater Treatment written by Shikha Gulati and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2024-09-09 with Science categories.
This book offers a comprehensive exploration of the integration of artificial intelligence (AI) techniques in addressing challenges and optimizing processes within wastewater treatment. The coverage of the book spans a spectrum of applications, including AI-driven monitoring and control systems, predictive modeling for pollutant removal, and the development of smart sensor networks for real-time data analysis in wastewater treatment plants. By amalgamating AI methodologies with wastewater treatment processes, the book provides insights into enhancing efficiency, reducing costs, and mitigating environmental impacts. In the current research scenario, the theme of the book is highly pertinent as it responds to the pressing need for sustainable and efficient wastewater treatment solutions. The book defines the theme by elucidating how AI technologies, such as machine learning algorithms and data analytics, can revolutionize wastewater treatment processes by enabling proactive decision-making, optimizing resource allocation, and predicting potential system failures. This intersection of AI and wastewater treatment not only addresses operational challenges but also contributes to the broader goal of achieving environmentally conscious and economically viable solutions.
Machine Learning Tools For Chemical Engineering
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Author : Francisco Javier López-Flores
language : en
Publisher: Elsevier
Release Date : 2025-05-15
Machine Learning Tools For Chemical Engineering written by Francisco Javier López-Flores and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2025-05-15 with Technology & Engineering categories.
Machine Learning Tools for Chemical Engineering: Methodologies and Applications examines how machine learning (ML) techniques are applied in the field, offering precise, fast, and flexible solutions to address specific challenges.ML techniques and methodologies offer significant advantages (such as accuracy, speed of execution, and flexibility) over traditional modeling and optimization techniques. This book integrates ML techniques to solve problems inherent to chemical engineering, providing practical tools and a theoretical framework combining knowledge modeling, representation, and management, tailored to the chemical engineering field. It provides a precedent for applied Al, but one that goes beyond purely data-centric ML. It is firmly grounded in the philosophies of knowledge modeling, knowledge representation, search and inference, and knowledge extraction and management.Aimed at graduate students, researchers, educators, and industry professionals, this book is an essential resource for those seeking to implement ML in chemical processes, aiming to foster optimization and innovation in the sector. - Outlines the current and potential future contribution of machine learning, the use of data science, and, ultimately, how to correctly use machine learning tools specifically in chemical engineering• Devoted to the correct application and interpretation of the results in various phases of the development of decision support systems: data collection, model development, training, and testing, as well as application in chemical engineering• Examines chemical engineering-specific challenges and problems, including noise, manufacturing equipment, and domain-specific solutions, such as physical knowledge using relevant case study examples
Artificial Intelligence In Education
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Author : Matthew N.O. Sadiku
language : en
Publisher: iUniverse
Release Date : 2022-01-27
Artificial Intelligence In Education written by Matthew N.O. Sadiku and has been published by iUniverse this book supported file pdf, txt, epub, kindle and other format this book has been release on 2022-01-27 with Education categories.
The quest for building an artificial brain developed in the fields of computer science and psychology. Artificial intelligence (AI), sometimes called machine intelligence, refers to intelligence demonstrated by machines, while the natural intelligence is the intelligence displayed by humans and animals. Typically, AI systems demonstrate at least some of the following human behaviors: planning, learning, reasoning, problem solving, knowledge representation, perception, speech recognition, decision-making, language translation, motion, manipulation, intelligence, and creativity. Artificial intelligence is an emerging technology which the educational sector can benefit from. In this book, we consider the applications of AI in key areas of education. Artificial intelligence in education (AIED) refers to the application of AI technologies in educational settings to facilitate teaching, learning, or decision making. AI will impact the education field in the areas of administration, instruction, and personalized, and individualized learning applications. In this book, AI is specifically applied in the following key educational sectors: education, natural sciences, social sciences, computer science, engineering, business, and medicine.
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.
Artificial Intelligence A Multidisciplinary Approach Towards Teaching And Learning
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Author : Tahmeena Khan
language : en
Publisher: Bentham Science Publishers
Release Date : 2024-11-19
Artificial Intelligence A Multidisciplinary Approach Towards Teaching And Learning written by Tahmeena Khan and has been published by Bentham Science Publishers this book supported file pdf, txt, epub, kindle and other format this book has been release on 2024-11-19 with Education categories.
Artificial Intelligence: A Multidisciplinary Approach towards Teaching and Learning explores the evolving role of AI in education, covering applications in fields such as bioinformatics, environmental science, physics, chemistry, economics, and language learning. Written by experts, this book provides a comprehensive overview of AI's integration into diverse subjects, offering insights into the future of AI in education and its potential to enhance academic research and pedagogy. Targeted at faculty, students, and professionals, the book addresses AI's role in blended learning environments and offers practical tools for educators seeking to incorporate AI into their teaching practices. Key Features: - Multidisciplinary exploration of AI in teaching and learning. - Practical tools and methodologies for educators. - Insights into AI-driven innovations in research. - Relevant to a broad audience, from students to professionals.