An Investigation Of Chemical Pattern Recognition Methodologies
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An Investigation Of Chemical Pattern Recognition Methodologies
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Author : Anthony J. Myles
language : en
Publisher:
Release Date : 2005
An Investigation Of Chemical Pattern Recognition Methodologies written by Anthony J. Myles and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2005 with Chemistry categories.
Pattern Recognition In Chemistry
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Author : Kurt Varmuza
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06
Pattern Recognition In Chemistry written by Kurt Varmuza and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-12-06 with Science categories.
Analytical chemistry of the recent years is strongly influenced by automation. Data acquisition from analytica~ instruments - and some times also controlling of instruments - by a computer are principally solved since many years. Availability of microcomputers made these tasks also feasible from the economic point of view. Besides these basic applications of computers in chemical measurements scientists developed computer programs for solving more sophisticated problems for which some kind of "intelligence" is usually supposed to be necessary. Harm less numerical experiments on this topic led to passionate discussions about the theme "which jobs cannot be done by a computer but only by human brain ?~. If this question is useful at all it should not be ans wered a priori. Application of computers in chemistry is a matter of utility, sometimes it is a social problem, but it is never a question of piety for the human brain. Automated instruments and the necessity to work on complex pro blems enhanced the development of automatic methods for the reduction and interpretation of large data sets. Numerous methods from mathematics, statistics, information theory, and computer science have been exten sively investigated for the elucidation of chemical information; a new discipline "chemometrics" has been established. Three different approaches have been used for computer-assisted interpretations of chemical data. 1. Heuristic methods try to formu late computer programs working in a similar way as a chemist would solve the problem. 2.
Cheminformatics And Its Applications
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Author : Amalia Stefaniu
language : en
Publisher: BoD – Books on Demand
Release Date : 2020-07-15
Cheminformatics And Its Applications written by Amalia Stefaniu and has been published by BoD – Books on Demand this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-07-15 with Medical categories.
Cheminformatics has emerged as an applied branch of Chemistry that involves multidisciplinary knowledge, connecting related fields such as chemistry, computer science, biology, pharmacology, physics, and mathematical statistics.The book is organized in two sections, including multiple aspects related to advances in the development of informatic tools and their specific use in compound structure databases with various applications in life sciences, mainly in medicinal chemistry, for identification and development of new therapeutically active molecules. The book covers aspects related to genomic analysis, semantic similarity, chemometrics, pattern recognition techniques, chemical reactivity prediction, drug-likeness assessment, bioavailability, biological target recognition, machine-based drug discovery and design. Results from various computational tools and methods are discussed in the context of new compound design and development, sharing promising opportunities, and perspectives.
Statistical Methods For Pharmaceutical Research Planning
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Author : S. W. Bergman
language : en
Publisher: CRC Press
Release Date : 2020-10-28
Statistical Methods For Pharmaceutical Research Planning written by S. W. Bergman and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-10-28 with Mathematics categories.
This book focuses on statistical methods which impinge more or less directly on the decisions that are made during the course of pharmaceutical and agro-chemical research, considering the four decision-making areas.
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
Chemometrics In Environmental Chemistry Statistical Methods
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Author : Jürgen Einax
language : en
Publisher: Springer
Release Date : 2013-04-17
Chemometrics In Environmental Chemistry Statistical Methods written by Jürgen Einax and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-04-17 with Science categories.
Pattern recognition and other chemometrical techniques are important tools in interpreting environmental data. This volume presents authoritatively state-of-the-art procedures for measuring and handling environmental data. The chapters are written by leading experts.
Chemometric Methods In Forensic Science
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Author : Vishal Sharma
language : en
Publisher: Royal Society of Chemistry
Release Date : 2023-12-20
Chemometric Methods In Forensic Science written by Vishal Sharma 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 2023-12-20 with Law categories.
Chemometrics, or the application of multivariate statistics to chemical data, provides informative and statistically valid analyses within a forensic context and there has been an increase in the use of chemometrics to characterise forensic exhibits. Introducing chemometric methods suitable for forensic practitioners, this book fills a gap in the literature outlining how such methods are applied to forensic casework, what limitations to these approaches exist, and future trends emerging in the field. The book highlights how chemometric methods may be applied to different areas of forensic science, enabling more confident and transparent decision-making based on quantitative approaches. It is divided into various sections which include a background to chemometrics, types of chemometric methods, their applications in various disciplines of forensic science, and emerging trends in the field. The detailed discussion of chemometric methods used for the examination of forensic exhibits outlines their advantages, limitations, and efficiency. Providing a centralised source of information addressing the above aspects, and suitable for forensic practitioners, researchers and stakeholders, this book is written for MSc Forensic Science courses and more broadly applications in the biological, chemical and physical sciences.
The Practice Of Medicinal Chemistry
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Author : Camille Georges Wermuth
language : en
Publisher: Elsevier
Release Date : 2003-06-11
The Practice Of Medicinal Chemistry written by Camille Georges Wermuth and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2003-06-11 with Science categories.
The Practice of Medicinal Chemistry, 2E, is a single-volume source on the practical aspects of medicinal chemistry. The successful first edition was nicknamed "The Bible" by medicinal chemists, and the second edition has been updated, expanded and refocused to reflect developments over the last decade. Emphasis is put on how medicinal chemists conduct their search for and design of new drug entities. In contrast to competing books, it focuses on the chemistry rather than pharmacological concepts or descriptions of the various therapeutic classes of drugs. Most medicinal chemists working in the pharmaceutical industry are organic synthetic chemists who must acquire a strong knowledge of medicinal chemistry as they enter the industry. This book aims to be their practical handbook - a complete guide to the drug discovery process. - The only book available dealing with the practical aspects of medicinal chemistry - Serves as a complete guide to the drug discovery process, from conception of the molecules to drug production - Updated chapters devoted to the discovery of new lead compounds, including combinatorial chemistry
Fourth Symposium On Our Environment
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Author : Hian Kee Lee
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06
Fourth Symposium On Our Environment written by Hian Kee Lee and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-12-06 with Technology & Engineering categories.
Proceedings of the Fourth Symposium on Our Environment, held in Singapore, May 21-23, 1990
Environmental Health Perspectives
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Author :
language : en
Publisher:
Release Date : 2003-07
Environmental Health Perspectives written by and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2003-07 with Environmental health categories.