Machine Learning And Pattern Recognition Methods In Chemistry From Multivariate And Data Driven Modeling
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Machine Learning And Pattern Recognition Methods In Chemistry From Multivariate And Data Driven Modeling
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Author : Jahan B. Ghasemi
language : en
Publisher: Elsevier
Release Date : 2022-10-20
Machine Learning And Pattern Recognition Methods In Chemistry From Multivariate And Data Driven Modeling written by Jahan B. Ghasemi and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2022-10-20 with Science categories.
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 Interpretation In Neuroimaging
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Author : Georg Langs
language : en
Publisher: Springer
Release Date : 2012-11-11
Machine Learning And Interpretation In Neuroimaging written by Georg Langs and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-11-11 with Computers categories.
Brain imaging brings together the technology, methodology, research questions and approaches of a wide range of scientific fields including physics, statistics, computer science, neuroscience, biology, and engineering. Thus, methodological and technological advances that enable us to obtain measurements, examine relationships across observations, and link these data to neuroscientific hypotheses happen in a highly interdisciplinary environment. The dynamic field of machine learning with its modern approach to data mining provides many relevant approaches for neuroscience and enables the exploration of open questions. This state-of-the-art survey offers a collection of papers from the Workshop on Machine Learning and Interpretation in Neuroimaging, MLINI 2011, held at the 25th Annual Conference on Neural Information Processing, NIPS 2011, in the Sierra Nevada, Spain, in December 2011. Additionally, invited speakers agreed to contribute reviews on various aspects of the field, adding breadth and perspective to the volume. The 32 revised papers were carefully selected from 48 submissions. At the interface between machine learning and neuroimaging the papers aim at shedding some light on the state of the art in this interdisciplinary field. They are organized in topical sections on coding and decoding, neuroscience, dynamcis, connectivity, and probabilistic models and machine learning.
Machine Learning Based Modelling In Atomic Layer Deposition Processes
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Author : Oluwatobi Adeleke
language : en
Publisher: CRC Press
Release Date : 2023-12-15
Machine Learning Based Modelling In Atomic Layer Deposition Processes written by Oluwatobi Adeleke and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2023-12-15 with Technology & Engineering categories.
While thin film technology has benefited greatly from artificial intelligence (AI) and machine learning (ML) techniques, there is still much to be learned from a full-scale exploration of these technologies in atomic layer deposition (ALD). This book provides in-depth information regarding the application of ML-based modeling techniques in thin film technology as a standalone approach and integrated with the classical simulation and modeling methods. It is the first of its kind to present detailed information regarding approaches in ML-based modeling, optimization, and prediction of the behaviors and characteristics of ALD for improved process quality control and discovery of new materials. As such, this book fills significant knowledge gaps in the existing resources as it provides extensive information on ML and its applications in film thin technology. Offers an in-depth overview of the fundamentals of thin film technology, state-of-the-art computational simulation approaches in ALD, ML techniques, algorithms, applications, and challenges. Establishes the need for and significance of ML applications in ALD while introducing integration approaches for ML techniques with computation simulation approaches. Explores the application of key techniques in ML, such as predictive analysis, classification techniques, feature engineering, image processing capability, and microstructural analysis of deep learning algorithms and generative model benefits in ALD. Helps readers gain a holistic understanding of the exciting applications of ML-based solutions to ALD problems and apply them to real-world issues. Aimed at materials scientists and engineers, this book fills significant knowledge gaps in existing resources as it provides extensive information on ML and its applications in film thin technology. It also opens space for future intensive research and intriguing opportunities for ML-enhanced ALD processes, which scale from academic to industrial applications.
Chemoinformatics And Advanced Machine Learning Perspectives Complex Computational Methods And Collaborative Techniques
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Author : Lodhi, Huma
language : en
Publisher: IGI Global
Release Date : 2010-07-31
Chemoinformatics And Advanced Machine Learning Perspectives Complex Computational Methods And Collaborative Techniques written by Lodhi, Huma and has been published by IGI Global this book supported file pdf, txt, epub, kindle and other format this book has been release on 2010-07-31 with Computers categories.
"This book is a timely compendium of key elements that are crucial for the study of machine learning in chemoinformatics, giving an overview of current research in machine learning and their applications to chemoinformatics tasks"--Provided by publisher.
The Digital Transformation Of Product Formulation
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Author : Alix Schmidt
language : en
Publisher: CRC Press
Release Date : 2024-08-14
The Digital Transformation Of Product Formulation written by Alix Schmidt and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2024-08-14 with Technology & Engineering categories.
In competitive manufacturing industries, organizations embrace product development as a continuous investment strategy since both market share and profit margin stand to benefit. Formulating new or improved products has traditionally involved lengthy and expensive experimentation in laboratory or pilot plant settings. However, recent advancements in areas from data acquisition to analytics are synergizing to transform workflows and increase the pace of research and innovation. The Digital Transformation of Product Formulation offers practical guidance on how to implement data-driven, accelerated product development through concepts, challenges, and applications. In this book, you will read a variety of industrial, academic, and consulting perspectives on how to go about transforming your materials product design from a twentieth-century art to a twenty-first-century science. Presents a futuristic vision for digitally enabled product development, the role of data and predictive modeling, and how to avoid project pitfalls to maximize probability of success Discusses data-driven materials design issues and solutions applicable to a variety of industries, including chemicals, polymers, pharmaceuticals, oil and gas, and food and beverages Addresses common characteristics of experimental datasets, challenges in using this data for predictive modeling, and effective strategies for enhancing a dataset with advanced formulation information and ingredient characterization Covers a wide variety of approaches to developing predictive models on formulation data, including multivariate analysis and machine learning methods Discusses formulation optimization and inverse design as natural extensions to predictive modeling for materials discovery and manufacturing design space definition Features case studies and special topics, including AI-guided retrosynthesis, real-time statistical process monitoring, developing multivariate specifications regions for raw material quality properties, and enabling a digital-savvy and analytics-literate workforce This book provides students and professionals from engineering and science disciplines with practical know-how in data-driven product development in the context of chemical products across the entire modeling lifecycle.
The Practice Of Medicinal Chemistry
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Author : Camille Georges Wermuth
language : en
Publisher: Academic Press
Release Date : 2011-05-02
The Practice Of Medicinal Chemistry written by Camille Georges Wermuth and has been published by Academic Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2011-05-02 with Medical categories.
The Practice of Medicinal Chemistry fills a gap in the list of available medicinal chemistry literature. It is a single-volume source on the practical aspects of medicinal chemistry. Considered ""the Bible"" by medicinal chemists, the book emphasizes the methods that chemists use to conduct their research and design new drug entities. It serves as a practical handbook about the drug discovery process, from conception of the molecules to drug production. The first part of the book covers the background of the subject matter, which includes the definition and history of medicinal chemistry, the measurement of biological activities, and the main phases of drug activity. The second part of the book presents the road to discovering a new lead compound and creating a working hypothesis. The main parts of the book discuss the optimization of the lead compound in terms of potency, selectivity, and safety. The Practice of Medicinal Chemistry can be considered a ""first-read"" or ""bedside book"" for readers who are embarking on a career in medicinal chemistry.NEW TO THIS EDITION: * Focus on chemoinformatics and drug discovery * Enhanced pedagogical features* New chapters including: - Drug absorption and transport - Multi-target drugs* Updates on hot new areas: NEW! Drug discovery and the latest techniques NEW! How potential drugs can move through the drug discovery/ development phases more quickly NEW! Chemoinformatics
Chemosensors
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Author : Binghe Wang
language : en
Publisher: John Wiley & Sons
Release Date : 2011-08-24
Chemosensors written by Binghe Wang 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 2011-08-24 with Science categories.
A thorough, accessible, and general overview of chemosensors Providing a comprehensive overview of chemosensors organic molecules designed to bind and sense small molecules or metal ions and their applications, Chemosensors: Principles, Strategies, and Applications is an accessible one-stop resource for analysts, clinicians, and graduate students studying advanced chemistry and chemosensing. Chemosensors function on a molecular level, generating a signal upon binding. The book reviews their synthesis, design, and applications for detecting biological and organic molecules as well as metal ions. The text highlights applications in drug discovery and catalyses that have not been well covered elsewhere. Covering such topics as molecular recognition, detection methods, design strategies, and important biological issues, the book is broken into four sections that examine intermolecular interactions, strategies in sensor design, detection methods, and case studies in metal, saccharide, and amino acid sensing. An indispensable source of information for chemical and biomedical experts using sensors, Chemosensors includes case studies to make the material both accessible and understandable to chemists of all backgrounds.
Statistical Modelling Of Molecular Descriptors In Qsar Qspr
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Author : Matthias Dehmer
language : en
Publisher: John Wiley & Sons
Release Date : 2012-09-13
Statistical Modelling Of Molecular Descriptors In Qsar Qspr written by Matthias Dehmer 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 2012-09-13 with Medical categories.
This handbook and ready reference presents a combination of statistical, information-theoretic, and data analysis methods to meet the challenge of designing empirical models involving molecular descriptors within bioinformatics. The topics range from investigating information processing in chemical and biological networks to studying statistical and information-theoretic techniques for analyzing chemical structures to employing data analysis and machine learning techniques for QSAR/QSPR. The high-profile international author and editor team ensures excellent coverage of the topic, making this a must-have for everyone working in chemoinformatics and structure-oriented drug design.
Women In Analytical Chemistry
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Author : Nicole J. Jaffrezic-Renault
language : en
Publisher: Frontiers Media SA
Release Date : 2022-09-22
Women In Analytical Chemistry written by Nicole J. Jaffrezic-Renault and has been published by Frontiers Media SA this book supported file pdf, txt, epub, kindle and other format this book has been release on 2022-09-22 with Science categories.
Food Industry 4 0
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Author : Abdo Hassoun
language : en
Publisher: Elsevier
Release Date : 2024-04-15
Food Industry 4 0 written by Abdo Hassoun and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2024-04-15 with Medical categories.
Developments in Food Quality and Safety Series is the most up-to-date resource covering trend topics such as Advances in the analysis of toxic compounds and control of food poisoning; Food fraud, traceability and authenticity; Revalorization of agrifood industry; Natural antimicrobial compounds and application to improve the preservation of food; Non-thermal processing technologies in the food industry; Nanotechnology in food production; and Intelligent packaging and sensors for food applications. Volume 4, Food Industry 4.0: Emerging Trends and Technologies in Food Production and Consumption covers several technologies (e.g., robotics, smart sensors, artificial intelligence, and big data) at different development and research levels in order to provide holistic multidisciplinary approaches that embrace simultaneously as many Industry 4.0 technologies as possible, reflecting the long journey of food from farm (or sea) to fork. Chapters explore automation, digitalization, and green technologies, besides food quality, food safety food traceability, processing and preservation 4.0. Topics such as smart sensors, artificial intelligence and big data revolution, additive manufacturing, and emerging food trends are also explored. The series is edited by Dr. José Manuel Lorenzo and authored by a team of global experts in the fields of Food Quality and Safety, providing comprehensive knowledge to food industry personals and scientists. - Provides a comprehensive view of Industry 4.0 technologies as applied to the food industry - Covers the most trend topics related to novel foods in the light of emerging innovations and developments - Discusses how implementing innovative technologies holds significant potential to increase efficiency and value added, save time and cost, and increase profitability in various food sectors