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Author: Jonas Nilsson
Publisher:
ISBN: 9789036708630
Category :
Languages : en
Pages : 160
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Book Description
Author: Jonas Nilsson
Publisher:
ISBN: 9789036708630
Category :
Languages : en
Pages : 160
Get Book Here
Book Description
Author: Hugo Kubinyi
Publisher: Springer Science & Business Media
ISBN: 0306468581
Category : Science
Languages : en
Pages : 349
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Book Description
Significant progress has been made in the study of three-dimensional quantitative structure-activity relationships (3D QSAR) since the first publication by Richard Cramer in 1988 and the first volume in the series, 3D QSAR in Drug Design. Theory, Methods and Applications, published in 1993. The aim of that early book was to contribute to the understanding and the further application of CoMFA and related approaches and to facilitate the appropriate use of these methods. Since then, hundreds of papers have appeared using the quickly developing techniques of both 3D QSAR and computational sciences to study a broad variety of biological problems. Again the editor(s) felt that the time had come to solicit reviews on published and new viewpoints to document the state of the art of 3D QSAR in its broadest definition and to provide visions of where new techniques will emerge or new appli- tions may be found. The intention is not only to highlight new ideas but also to show the shortcomings, inaccuracies, and abuses of the methods. We hope this book will enable others to separate trivial from visionary approaches and me-too methodology from in- vative techniques. These concerns guided our choice of contributors. To our delight, our call for papers elicited a great many manuscripts.
Author: Jean Pierre Doucet
Publisher: CRC Press
ISBN: 1420091166
Category : Medical
Languages : en
Pages : 564
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Book Description
As a result of new statistical and mathematical approaches, improved visualization tools, and recognition by international regulatory groups, quantitative structure-activity relationships (QSARs) now play important roles in pharmacology for the design of new drugs as well as in toxicology and ecotoxicology for hazard identification and risk assessm
Author: Age Smilde
Publisher: John Wiley & Sons
ISBN: 0470012102
Category : Science
Languages : en
Pages : 396
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Book Description
This book is an introduction to the field of multi-way analysis for chemists and chemometricians. Its emphasis is on the ideas behind the method and its pratical applications. Sufficient mathematical background is given to provide a solid understanding of the ideas behind the method. There are currently no other books on the market which deal with this method from the viewpoint of its applications in chemistry. Applicable in many areas of chemistry. No comparable volume currently available. The field is becoming increasingly important.
Author: Christian Jutten
Publisher: John Wiley & Sons
ISBN: 1119137225
Category : Technology & Engineering
Languages : en
Pages : 357
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Book Description
Source Separation in Physical-Chemical Sensing Master advanced signal processing for enhanced physical and chemical sensors with this essential guide In many domains (medicine, satellite imaging and remote sensing, food industry, materials science), data is obtained from large sets of physical/chemical sensors or sensor arrays. Such sophisticated measurement techniques require advanced and smart processing for extracting useful information from raw sensing data. Usually, sensors are not very selective and record a mixture of the useful latent variables. An innovative technique called Blind Source Separation (BSS) can isolate and retrieve the individual latent variables from a mixed-source data array, allowing for refined analysis that fully exploits these cutting-edged imaging and signal-sensing technologies. Source Separation in Physical-Chemical Sensing, supplies a thorough introduction to the principles of BSS, main methods and algorithms and its potential applications in various domains where data are obtained through physical or chemical sensors. Designed to bridge the gap between chemical/physical analysis and signal processing, it promises to be invaluable in many fields. Its alertness to the latest technologies and the full range of potential BSS applications make it an indispensable introduction to this cutting-edge method. Source Separation in Physical-Chemical Sensing readers will also find: BSS examples on chemical and physical sensors and devices to enhance processing and analysis. Detailed treatment of source separation in potentiometric sensors, ion-sensitive sensors, hyperspectral imaging, Raman and fluorescence spectroscopy, chromatography, and others. Thorough discussion of Bayesian source separation, nonnegative matrix factorization, tensorial methods, geometrical methods, constrained optimization, and more. Source Separation in Physical-Chemical Sensing is a must-have for researchers and engineers working in signal processing and statistical analysis, as well as for chemists, physicists or engineers looking to apply source separation in various application domains.
Author: Lodhi, Huma
Publisher: IGI Global
ISBN: 1615209123
Category : Computers
Languages : en
Pages : 418
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Book Description
"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.
Author: Klaus Gundertofte
Publisher: Springer Science & Business Media
ISBN: 1461541417
Category : Science
Languages : en
Pages : 490
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Book Description
Much of chemistry, molecular biology, and drug design, are centered around the relationships between chemical structure and measured properties of compounds and polymers, such as viscosity, acidity, solubility, toxicity, enzyme binding, and membrane penetration. For any set of compounds, these relationships are by necessity complicated, particularly when the properties are of biological nature. To investigate and utilize such complicated relationships, henceforth abbreviated SAR for structure-activity relationships, and QSAR for quantitative SAR, we need a description of the variation in chemical structure of relevant compounds and biological targets, good measures of the biological properties, and, of course, an ability to synthesize compounds of interest. In addition, we need reasonable ways to construct and express the relationships, i. e. , mathematical or other models, as well as ways to select the compounds to be investigated so that the resulting QSAR indeed is informative and useful for the stated purposes. In the present context, these purposes typically are the conceptual understanding of the SAR, and the ability to propose new compounds with improved property profiles. Here we discuss the two latter parts of the SARlQSAR problem, i. e. , reasonable ways to model the relationships, and how to select compounds to make the models as "good" as possible. The second is often called the problem of statistical experimental design, which in the present context we call statistical molecular design, SMD. 1.
Author: Craig Saunders
Publisher: Springer
ISBN: 3540341382
Category : Computers
Languages : en
Pages : 218
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Book Description
This book constitutes the thoroughly refereed post-proceedings of the PASCAL (pattern analysis, statistical modelling and computational learning) Statistical and Optimization Perspectives Workshop on Subspace, Latent Structure and Feature Selection techniques, SLSFS 2005. The 9 revised full papers presented together with 5 invited papers reflect the key approaches that have been developed for subspace identification and feature selection using dimension reduction techniques, subspace methods, random projection methods, among others.
Author: Rasmus Bro
Publisher:
ISBN:
Category : Chemistry
Languages : en
Pages : 316
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Book Description
Author: Teodorico C. Ramalho
Publisher: Bentham Science Publishers
ISBN: 1608051838
Category : Science
Languages : en
Pages : 204
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Book Description
"Low-income populations in developing regions of Africa, Asia and the Americas have been particularly injured by a group of tropical infections denominated neglected diseases. Compared to important illnesses, neglected diseases do not enjoy significant res"
