Computational and Data Driven Chemistry Using Artificial Intelligence

Written By Takashiro Akitsu
Computational and Data Driven Chemistry Using Artificial Intelligence
  • Publsiher : Elsevier
  • Release : 29 October 2021
  • ISBN : 0128222492
  • Pages : 278 pages
  • Rating : 4/5 from 21 reviews
GET THIS BOOKComputational and Data Driven Chemistry Using Artificial Intelligence


Read or download book entitled Computational and Data Driven Chemistry Using Artificial Intelligence written by Takashiro Akitsu which was release on 29 October 2021, this book published by Elsevier. Available in PDF, EPUB and Kindle Format. 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

Computational and Data Driven Chemistry Using Artificial Intelligence

Computational and Data Driven Chemistry Using Artificial Intelligence
  • Author : Takashiro Akitsu
  • Publisher : Elsevier
  • Release Date : 2021-10-29
  • Total pages : 278
  • ISBN : 0128222492
GET BOOK

Summary : 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, ...

Computational and Data Driven Chemistry Using Artificial Intelligence

Computational and Data Driven Chemistry Using Artificial Intelligence
  • Author : Takashiro Akitsu
  • Publisher : Elsevier
  • Release Date : 2021-10-08
  • Total pages : 278
  • ISBN : 0128222492
GET BOOK

Summary : 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, ...

Resources in Education

Resources in Education
  • Author : Anonim
  • Publisher : Unknown
  • Release Date : 1978
  • Total pages : 212
  • ISBN : 0128222492
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Summary : Download or read online Resources in Education written by , published by which was released on 1978. Get Resources in Education Books now! Available in PDF, ePub and Kindle....

Computational Intelligence for Knowledge Based System Design

Computational Intelligence for Knowledge Based System Design
  • Author : Eyke Hüllermeier,Rudolf Kruse,Frank Hoffmann
  • Publisher : Springer Science & Business Media
  • Release Date : 2010-06-17
  • Total pages : 771
  • ISBN : 0128222492
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Summary : The book constitutes the refereed proceedings of the 13th International Conference on Information Processing and Management of Uncertainty in Knowledge-Based Systems, IPMU 2010, held in Dortmund, Germany from June 28 - July 2, 2010. The 77 revised full papers were carefully reviewed and selected from 320 submissions and reflect the richness of research in the field ...

Molecular Modeling in Drug Design

Molecular Modeling in Drug Design
  • Author : Rebecca Wade,Outi Salo-Ahen
  • Publisher : MDPI
  • Release Date : 2019-03-26
  • Total pages : 220
  • ISBN : 0128222492
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Summary : Since the first attempts at structure-based drug design about four decades ago, molecular modelling techniques for drug design have developed enormously, along with the increasing computational power and structural and biological information of active compounds and potential target molecules. Nowadays, molecular modeling can be considered to be an integral component ...

Monte Carlo Strategies in Scientific Computing

Monte Carlo Strategies in Scientific Computing
  • Author : Jun S. Liu
  • Publisher : Springer Science & Business Media
  • Release Date : 2013-11-11
  • Total pages : 344
  • ISBN : 0128222492
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Summary : This book provides a self-contained and up-to-date treatment of the Monte Carlo method and develops a common framework under which various Monte Carlo techniques can be "standardized" and compared. Given the interdisciplinary nature of the topics and a moderate prerequisite for the reader, this book should be of interest to ...

Personal Assistants Emerging Computational Technologies

Personal Assistants  Emerging Computational Technologies
  • Author : Angelo Costa,Vicente Julian,Paulo Novais
  • Publisher : Springer
  • Release Date : 2017-08-29
  • Total pages : 220
  • ISBN : 0128222492
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Summary : This book provides an overview of the current research in the interdisciplinary area of personal assistants (PA) and cognitively inspired systems. It discusses the most relevant topics in this highly diversified domain, like reasoning, health, personalization, robotics, and ethical and social issues. Personal assistants (PA) are a relatively new concept ...

Graduate Programs in Engineering Applied Sciences 2011 Grad 5

Graduate Programs in Engineering   Applied Sciences 2011  Grad 5
  • Author : Peterson's
  • Publisher : Peterson's
  • Release Date : 2011-05-01
  • Total pages : 602
  • ISBN : 0128222492
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Summary : Peterson's Graduate Programs in Engineering & Applied Sciences contains a wealth of information on colleges and universities that offer graduate degrees in the fields of Aerospace/Aeronautical Engineering; Agricultural Engineering & Bioengineering; Architectural Engineering, Biomedical Engineering & Biotechnology; Chemical Engineering; Civil & Environmental Engineering; Computer Science & Information Technology; Electrical & Computer Engineering; Energy & Power engineering; ...

31st European Symposium on Computer Aided Process Engineering

31st European Symposium on Computer Aided Process Engineering
  • Author : Metin Türkay,Rafiqul Gani
  • Publisher : Elsevier
  • Release Date : 2021-07-22
  • Total pages : 2140
  • ISBN : 0128222492
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Summary : The 31st European Symposium on Computer Aided Process Engineering: ESCAPE-31, Volume 50 contains the papers presented at the 31st European Symposium of Computer Aided Process Engineering (ESCAPE) event held in Istanbul, Turkey. It is a valuable resource for chemical engineers, chemical process engineers, researchers in industry and academia, students and consultants ...

Computational Modeling and Simulation of Intellect Current State and Future Perspectives

Computational Modeling and Simulation of Intellect  Current State and Future Perspectives
  • Author : Igelnik, Boris
  • Publisher : IGI Global
  • Release Date : 2011-05-31
  • Total pages : 686
  • ISBN : 0128222492
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Summary : "This book confronts the problem of meaning by fusing together methods specific to different fields and exploring the computational efficiency and scalability of these methods"--Provided by publisher....

Scientific and Technical Aerospace Reports

Scientific and Technical Aerospace Reports
  • Author : Anonim
  • Publisher : Unknown
  • Release Date : 1992
  • Total pages : 212
  • ISBN : 0128222492
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Summary : Download or read online Scientific and Technical Aerospace Reports written by , published by which was released on 1992. Get Scientific and Technical Aerospace Reports Books now! Available in PDF, ePub and Kindle....

The Discovery and Utility of Chemical Probes in Target Discovery

The Discovery and Utility of Chemical Probes in Target Discovery
  • Author : Paul Brennan,Saleta Vazquez Rodriguez
  • Publisher : Royal Society of Chemistry
  • Release Date : 2020-11-17
  • Total pages : 326
  • ISBN : 0128222492
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Summary : Numerous genetic methods can be utilised to link a phenotype to a single molecular target but annotated small molecule chemical probes and even entire chemogenomic libraries are increasingly being used as a complementary approach. This book will comprehensively cover the state of the art in chemical probes and best practice ...

Thinking in Complexity

Thinking in Complexity
  • Author : Klaus Mainzer
  • Publisher : Springer Science & Business Media
  • Release Date : 2013-11-11
  • Total pages : 329
  • ISBN : 0128222492
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Summary : Complexity and nonlinearity are prominent features in the evolution of matter, life, and human society. Even our mind seems to be governed by the nonlinear dynamics of the complex networks in our brain. This book considers complex systems in the physical and biological sciences, cognitive and computer sciences, social and ...

Theoretical and Computational Chemistry

Theoretical and Computational Chemistry
  • Author : Iwona Gulaczyk,Bartosz Tylkowski
  • Publisher : Walter de Gruyter GmbH & Co KG
  • Release Date : 2021-06-08
  • Total pages : 270
  • ISBN : 0128222492
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Summary : This book explores the applications of computational chemistry ranging from the pharmaceutical industry and molecular structure determination to spectroscopy and astrophysics. The authors detail how calculations can be used to solve a wide range of practical challenges encountered in research and industry....

Data Based Methods for Materials Design and Discovery

Data Based Methods for Materials Design and Discovery
  • Author : Ghanshyam Pilania,Prasanna V. Balachandran,James E. Gubernatis,Turab Lookman
  • Publisher : Morgan & Claypool Publishers
  • Release Date : 2020-03-06
  • Total pages : 188
  • ISBN : 0128222492
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Summary : Machine learning methods are changing the way we design and discover new materials. This book provides an overview of approaches successfully used in addressing materials problems (alloys, ferroelectrics, dielectrics) with a focus on probabilistic methods, such as Gaussian processes, to accurately estimate density functions. The authors, who have extensive experience ...