Computational And Data Driven Chemistry Using Artificial Intelligence

Download Computational And Data Driven Chemistry Using Artificial Intelligence full books in PDF, epub, and Kindle. Read online Computational And Data Driven Chemistry Using Artificial Intelligence ebook anywhere anytime directly on your device. Fast Download speed and no annoying ads. We cannot guarantee that every ebooks is available!

Computational and Data-Driven Chemistry Using Artificial Intelligence

Author : Takashiro Akitsu
Publisher : Elsevier
ISBN 13 : 0128232722
Total Pages : 280 pages
Book Rating : 4.1/5 (282 download)

DOWNLOAD NOW!

Book Synopsis Computational and Data-Driven Chemistry Using Artificial Intelligence by : Takashiro Akitsu

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

Machine Learning in Chemistry

Author : Edward O. Pyzer-Knapp
Publisher :
ISBN 13 : 9780841235052
Total Pages : 140 pages
Book Rating : 4.2/5 (35 download)

DOWNLOAD NOW!

Book Synopsis Machine Learning in Chemistry by : Edward O. Pyzer-Knapp

Download or read book Machine Learning in Chemistry written by Edward O. Pyzer-Knapp and published by . This book was released on 2020-10-22 with total page 140 pages. Available in PDF, EPUB and Kindle. Book excerpt: Atomic-scale representation and statistical learning of tensorial properties -- Prediction of Mohs hardness with machine learning methods using compositional features -- High-dimensional neural network potentials for atomistic simulations -- Data-driven learning systems for chemical reaction prediction: an analysis of recent approaches -- Using machine learning to inform decisions in drug discovery : an industry perspective -- Cognitive materials discovery and onset of the 5th discovery paradigm.

Machine Learning in Chemistry

Author : Jon Paul Janet
Publisher : American Chemical Society
ISBN 13 : 0841299005
Total Pages : 189 pages
Book Rating : 4.8/5 (412 download)

DOWNLOAD NOW!

Book Synopsis Machine Learning in Chemistry by : Jon Paul Janet

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

Machine Learning in Chemistry

Author : Hugh M Cartwright
Publisher : Royal Society of Chemistry
ISBN 13 : 1839160241
Total Pages : 564 pages
Book Rating : 4.8/5 (391 download)

DOWNLOAD NOW!

Book Synopsis Machine Learning in Chemistry by : Hugh M Cartwright

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.

Handbook of Materials Modeling

Author : Sidney Yip
Publisher : Springer Science & Business Media
ISBN 13 : 1402032862
Total Pages : 2903 pages
Book Rating : 4.4/5 (2 download)

DOWNLOAD NOW!

Book Synopsis Handbook of Materials Modeling by : Sidney Yip

Download or read book Handbook of Materials Modeling written by Sidney Yip and published by Springer Science & Business Media. This book was released on 2007-11-17 with total page 2903 pages. Available in PDF, EPUB and Kindle. Book excerpt: The first reference of its kind in the rapidly emerging field of computational approachs to materials research, this is a compendium of perspective-providing and topical articles written to inform students and non-specialists of the current status and capabilities of modelling and simulation. From the standpoint of methodology, the development follows a multiscale approach with emphasis on electronic-structure, atomistic, and mesoscale methods, as well as mathematical analysis and rate processes. Basic models are treated across traditional disciplines, not only in the discussion of methods but also in chapters on crystal defects, microstructure, fluids, polymers and soft matter. Written by authors who are actively participating in the current development, this collection of 150 articles has the breadth and depth to be a major contributor toward defining the field of computational materials. In addition, there are 40 commentaries by highly respected researchers, presenting various views that should interest the future generations of the community. Subject Editors: Martin Bazant, MIT; Bruce Boghosian, Tufts University; Richard Catlow, Royal Institution; Long-Qing Chen, Pennsylvania State University; William Curtin, Brown University; Tomas Diaz de la Rubia, Lawrence Livermore National Laboratory; Nicolas Hadjiconstantinou, MIT; Mark F. Horstemeyer, Mississippi State University; Efthimios Kaxiras, Harvard University; L. Mahadevan, Harvard University; Dimitrios Maroudas, University of Massachusetts; Nicola Marzari, MIT; Horia Metiu, University of California Santa Barbara; Gregory C. Rutledge, MIT; David J. Srolovitz, Princeton University; Bernhardt L. Trout, MIT; Dieter Wolf, Argonne National Laboratory.

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)

DOWNLOAD NOW!

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.

Machine Learning and Pattern Recognition Methods in Chemistry from Multivariate and Data Driven Modeling

Author : Jahan B. Ghasemi
Publisher : Elsevier
ISBN 13 : 0323907067
Total Pages : 212 pages
Book Rating : 4.3/5 (239 download)

DOWNLOAD NOW!

Book Synopsis Machine Learning and Pattern Recognition Methods in Chemistry from Multivariate and Data Driven Modeling by : Jahan B. Ghasemi

Download or read book Machine Learning and Pattern Recognition Methods in Chemistry from Multivariate and Data Driven Modeling written by Jahan B. Ghasemi and published by Elsevier. This book was released on 2022-10-20 with total page 212 pages. Available in PDF, EPUB and Kindle. Book excerpt: Machine Learning and Pattern Recognition Methods in Chemistry from Multivariate and Data Driven Modeling outlines key knowledge in this area, combining critical introductory approaches with the latest advanced techniques. Beginning with an introduction of univariate and multivariate statistical analysis, the book then explores multivariate calibration and validation methods. Soft modeling in chemical data analysis, hyperspectral data analysis, and autoencoder applications in analytical chemistry are then discussed, providing useful examples of the techniques in chemistry applications. Drawing on the knowledge of a global team of researchers, this book will be a helpful guide for chemists interested in developing their skills in multivariate data and error analysis. Provides an introductory overview of statistical methods for the analysis and interpretation of chemical data Discusses the use of machine learning for recognizing patterns in multidimensional chemical data Identifies common sources of multivariate errors

Machine Learning and Data-Driven Research in Chemistry

Author : Hachmann
Publisher : Wiley-Blackwell
ISBN 13 : 9781119310914
Total Pages : 524 pages
Book Rating : 4.3/5 (19 download)

DOWNLOAD NOW!

Book Synopsis Machine Learning and Data-Driven Research in Chemistry by : Hachmann

Download or read book Machine Learning and Data-Driven Research in Chemistry written by Hachmann and published by Wiley-Blackwell. This book was released on 2017-12-08 with total page 524 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Quantum Chemistry in the Age of Machine Learning

Author : Pavlo O. Dral
Publisher : Elsevier
ISBN 13 : 0323886043
Total Pages : 702 pages
Book Rating : 4.3/5 (238 download)

DOWNLOAD NOW!

Book Synopsis Quantum Chemistry in the Age of Machine Learning by : Pavlo O. Dral

Download or read book Quantum Chemistry in the Age of Machine Learning written by Pavlo O. Dral and published by Elsevier. This book was released on 2022-09-16 with total page 702 pages. Available in PDF, EPUB and Kindle. Book excerpt: Quantum chemistry is simulating atomistic systems according to the laws of quantum mechanics, and such simulations are essential for our understanding of the world and for technological progress. Machine learning revolutionizes quantum chemistry by increasing simulation speed and accuracy and obtaining new insights. However, for nonspecialists, learning about this vast field is a formidable challenge. Quantum Chemistry in the Age of Machine Learning covers this exciting field in detail, ranging from basic concepts to comprehensive methodological details to providing detailed codes and hands-on tutorials. Such an approach helps readers get a quick overview of existing techniques and provides an opportunity to learn the intricacies and inner workings of state-of-the-art methods. The book describes the underlying concepts of machine learning and quantum chemistry, machine learning potentials and learning of other quantum chemical properties, machine learning-improved quantum chemical methods, analysis of Big Data from simulations, and materials design with machine learning. Drawing on the expertise of a team of specialist contributors, this book serves as a valuable guide for both aspiring beginners and specialists in this exciting field. Compiles advances of machine learning in quantum chemistry across different areas into a single resource Provides insights into the underlying concepts of machine learning techniques that are relevant to quantum chemistry Describes, in detail, the current state-of-the-art machine learning-based methods in quantum chemistry

Data Science in Chemistry

Author : Thorsten Gressling
Publisher : Walter de Gruyter GmbH & Co KG
ISBN 13 : 3110629453
Total Pages : 540 pages
Book Rating : 4.1/5 (16 download)

DOWNLOAD NOW!

Book Synopsis Data Science in Chemistry by : Thorsten Gressling

Download or read book Data Science in Chemistry written by Thorsten Gressling and published by Walter de Gruyter GmbH & Co KG. This book was released on 2020-11-23 with total page 540 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Knowledge-based Expert Systems in Chemistry

Author : Philip Judson
Publisher : Royal Society of Chemistry
ISBN 13 : 1788014715
Total Pages : 284 pages
Book Rating : 4.7/5 (88 download)

DOWNLOAD NOW!

Book Synopsis Knowledge-based Expert Systems in Chemistry by : Philip Judson

Download or read book Knowledge-based Expert Systems in Chemistry written by Philip Judson and published by Royal Society of Chemistry. This book was released on 2019-02-07 with total page 284 pages. Available in PDF, EPUB and Kindle. Book excerpt: There have been significant developments in the use of knowledge-based expert systems in chemistry since the first edition of this book was published in 2009. This new edition has been thoroughly revised and updated to reflect the advances. The underlying theme of the book is still the need for computer systems that work with uncertain or qualitative data to support decision-making based on reasoned judgements. With the continuing evolution of regulations for the assessment of chemical hazards, and changes in thinking about how scientific decisions should be made, that need is ever greater. Knowledge-based expert systems are well established in chemistry, especially in relation to toxicology, and they are used routinely to support regulatory submissions. The effectiveness and continued acceptance of computer prediction depends on our ability to assess the trustworthiness of predictions and the validity of the models on which they are based. Written by a pioneer in the field, this book provides an essential reference for anyone interested in the uses of artificial intelligence for decision making in chemistry. r in the field, this book provides an essential reference for anyone interested in the uses of artificial intelligence for decision making in chemistry.r in the field, this book provides an essential reference for anyone interested in the uses of artificial intelligence for decision making in chemistry.r in the field, this book provides an essential reference for anyone interested in the uses of artificial intelligence for decision making in chemistry.

Artificial Intelligence in Chemical Engineering

Author : Thomas E. Quantrille
Publisher : Elsevier
ISBN 13 : 0080571212
Total Pages : 593 pages
Book Rating : 4.0/5 (85 download)

DOWNLOAD NOW!

Book Synopsis Artificial Intelligence in Chemical Engineering by : Thomas E. Quantrille

Download or read book Artificial Intelligence in Chemical Engineering written by Thomas E. Quantrille and published by Elsevier. This book was released on 2012-12-02 with total page 593 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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

Machine Learning and Hybrid Modelling for Reaction Engineering

Author : Dongda Zhang
Publisher : Royal Society of Chemistry
ISBN 13 : 1839165634
Total Pages : 441 pages
Book Rating : 4.8/5 (391 download)

DOWNLOAD NOW!

Book Synopsis Machine Learning and Hybrid Modelling for Reaction Engineering by : Dongda Zhang

Download or read book Machine Learning and Hybrid Modelling for Reaction Engineering written by Dongda Zhang and published by Royal Society of Chemistry. This book was released on 2023-12-20 with total page 441 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Big Data Analysis and Artificial Intelligence for Medical Sciences

Author : Paola Lecca
Publisher : John Wiley & Sons
ISBN 13 : 1119846536
Total Pages : 437 pages
Book Rating : 4.1/5 (198 download)

DOWNLOAD NOW!

Book Synopsis Big Data Analysis and Artificial Intelligence for Medical Sciences by : Paola Lecca

Download or read book Big Data Analysis and Artificial Intelligence for Medical Sciences written by Paola Lecca and published by John Wiley & Sons. This book was released on 2024-07-29 with total page 437 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Applications of Artificial Intelligence in Process Systems Engineering

Author : Jingzheng Ren
Publisher : Elsevier
ISBN 13 : 012821743X
Total Pages : 542 pages
Book Rating : 4.1/5 (282 download)

DOWNLOAD NOW!

Book Synopsis Applications of Artificial Intelligence in Process Systems Engineering by : Jingzheng Ren

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

Artificial Intelligence in Chemistry

Author : José S. Torrecilla
Publisher : Frontiers Media SA
ISBN 13 : 2889638707
Total Pages : 89 pages
Book Rating : 4.8/5 (896 download)

DOWNLOAD NOW!

Book Synopsis Artificial Intelligence in Chemistry by : José S. Torrecilla

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:

Data Science in Chemistry

Author : Thorsten Gressling
Publisher : Walter de Gruyter GmbH & Co KG
ISBN 13 : 3110630532
Total Pages : 442 pages
Book Rating : 4.1/5 (16 download)

DOWNLOAD NOW!

Book Synopsis Data Science in Chemistry by : Thorsten Gressling

Download or read book Data Science in Chemistry written by Thorsten Gressling and published by Walter de Gruyter GmbH & Co KG. This book was released on 2020-11-23 with total page 442 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.