Data Science In Chemistry
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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.
Practical Data Analysis In Chemistry
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Author : Marcel Maeder
language : en
Publisher: Elsevier
Release Date : 2007-08-10
Practical Data Analysis In Chemistry written by Marcel Maeder and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2007-08-10 with Mathematics categories.
The majority of modern instruments are computerised and provide incredible amounts of data. Methods that take advantage of the flood of data are now available; importantly they do not emulate 'graph paper analyses' on the computer. Modern computational methods are able to give us insights into data, but analysis or data fitting in chemistry requires the quantitative understanding of chemical processes. The results of this analysis allows the modelling and prediction of processes under new conditions, therefore saving on extensive experimentation. Practical Data Analysis in Chemistry exemplifies every aspect of theory applicable to data analysis using a short program in a Matlab or Excel spreadsheet, enabling the reader to study the programs, play with them and observe what happens. Suitable data are generated for each example in short routines, this ensuring a clear understanding of the data structure. Chapter 2 includes a brief introduction to matrix algebra and its implementation in Matlab and Excel while Chapter 3 covers the theory required for the modelling of chemical processes. This is followed by an introduction to linear and non-linear least-squares fitting, each demonstrated with typical applications. Finally Chapter 5 comprises a collection of several methods for model-free data analyses.* Includes a solid introduction to the simulation of equilibrium processes and the simulation of complex kinetic processes.* Provides examples of routines that are easily adapted to the processes investigated by the reader* 'Model-based' analysis (linear and non-linear regression) and 'model-free' analysis are covered
Data Analysis For Chemistry
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Author : D. Brynn Hibbert
language : en
Publisher: OUP USA
Release Date : 2006
Data Analysis For Chemistry written by D. Brynn Hibbert and has been published by OUP USA this book supported file pdf, txt, epub, kindle and other format this book has been release on 2006 with Mathematics categories.
Annotation. Definitions, Questions, and Useful Functions: Where to Find Things and What To Do1. Introduction2. Describing Data3. Hypothesis Testing4. Analysis of Variance5. Calibration.
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
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.
Big Data Analytics In Chemoinformatics And Bioinformatics
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Author : Subhash C. Basak
language : en
Publisher: Elsevier
Release Date : 2022-12-06
Big Data Analytics In Chemoinformatics And Bioinformatics written by Subhash C. Basak and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2022-12-06 with Science categories.
Big Data Analytics in Chemoinformatics and Bioinformatics: With Applications to Computer-Aided Drug Design, Cancer Biology, Emerging Pathogens and Computational Toxicology provides an up-to-date presentation of big data analytics methods and their applications in diverse fields. The proper management of big data for decision-making in scientific and social issues is of paramount importance. This book gives researchers the tools they need to solve big data problems in these fields. It begins with a section on general topics that all readers will find useful and continues with specific sections covering a range of interdisciplinary applications. Here, an international team of leading experts review their respective fields and present their latest research findings, with case studies used throughout to analyze and present key information. - Brings together the current knowledge on the most important aspects of big data, including analysis using deep learning and fuzzy logic, transparency and data protection, disparate data analytics, and scalability of the big data domain - Covers many applications of big data analysis in diverse fields such as chemistry, chemoinformatics, bioinformatics, computer-assisted drug/vaccine design, characterization of emerging pathogens, and environmental protection - Highlights the considerable benefits offered by big data analytics to science, in biomedical fields and in industry
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.
A Hands On Introduction To Data Science
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Author : Chirag Shah
language : en
Publisher: Cambridge University Press
Release Date : 2020-04-02
A Hands On Introduction To Data Science written by Chirag Shah and has been published by Cambridge University Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-04-02 with Business & Economics categories.
An introductory textbook offering a low barrier entry to data science; the hands-on approach will appeal to students from a range of disciplines.
Machine Learning And Data Science In The Power Generation Industry
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Author : Patrick Bangert
language : en
Publisher: Elsevier
Release Date : 2021-01-18
Machine Learning And Data Science In The Power Generation Industry written by Patrick Bangert and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2021-01-18 with Technology & Engineering categories.
Machine Learning and Data Science in the Power Generation Industry explores current best practices and quantifies the value-add in developing data-oriented computational programs in the power industry, with a particular focus on thoughtfully chosen real-world case studies. It provides a set of realistic pathways for organizations seeking to develop machine learning methods, with a discussion on data selection and curation as well as organizational implementation in terms of staffing and continuing operationalization. It articulates a body of case study-driven best practices, including renewable energy sources, the smart grid, and the finances around spot markets, and forecasting.
Teaching Programming Across The Chemistry Curriculum
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Author : Ashley Ringer McDonald
language : en
Publisher: ACS Symposium
Release Date : 2022
Teaching Programming Across The Chemistry Curriculum written by Ashley Ringer McDonald and has been published by ACS Symposium this book supported file pdf, txt, epub, kindle and other format this book has been release on 2022 with Computers categories.
"Sponsored by the ACS Division of Chemical Education."