Adaptive Systems In Drug Design
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Adaptive Systems In Drug Design
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Author : Gisbert Schneider
language : en
Publisher: CRC Press
Release Date : 2002-10-01
Adaptive Systems In Drug Design written by Gisbert Schneider and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2002-10-01 with Science categories.
A brief history of drug design presented to make clear that there are fashions in this important field and that they change rather rapidly. This is due in part to the fact that the way that a new paradigm is accepted in a drug company often does not depend on its scientific merit alone.
Adaptive Systems In Drug Design
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Author : Gisbert Schneider
language : en
Publisher: Eurekah.com
Release Date : 2003
Adaptive Systems In Drug Design written by Gisbert Schneider and has been published by Eurekah.com this book supported file pdf, txt, epub, kindle and other format this book has been release on 2003 with Medical categories.
Major concepts in the field of drug design are described in this book, with a strong focus on complex adaptive systems. Special emphasis is placed on neural network applications and evolutionary algorithms. The book is meant to complement a text on computational chemistry and bioinformatices and to present some new challenging ideas. A conceptual framework is presented for the use of adaptive systems and evolutionary algorithms, then the concept of chemical space is discussed and numerous examples of algorithms for classical unsupervised projection methods are given. The use of evolutionary algorithms and artificial neural networks in quantitative structure- activity relationships is discussed, and the drug-likeness concepts is explained. A final chapter examines the utility of evolutionary method in de novo molecular design. Schneider teaches cheminformatics at Johann Wolfgang Goethe University in Germany. So is affiliated with F. Hoffman-La Roche, Inc. Annotation copyrighted by Book News, Inc., Portland, OR
Lead Generation Approaches In Drug Discovery
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Author : Zoran Rankovic
language : en
Publisher: John Wiley & Sons
Release Date : 2010-04-07
Lead Generation Approaches In Drug Discovery written by Zoran Rankovic 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 2010-04-07 with Medical categories.
An integrated overview of modern approaches to lead discovery Lead generation is increasingly seen as a distinct and success-determining phase of the drug discovery process. Over recent years, there have been major advances in the understanding of what constitutes a good lead compound and how to improve the chances of finding such a compound. Written by leading scientists and established opinion leaders from industry and academia, this book provides an authoritative overview of the field, as well as the theory, practice, and scope, of the principal Lead Generation Approaches in Drug Discovery, including: The evolution of the lead discovery process, key concepts, current challenges, and future directions Strategies and technologies driving the high-throughput screening (HTS) approach to lead discovery, including the shifting paradigms in the design of compound collections and best practice in the hit confirmation process Knowledge-based in silico or "virtual" screening Theory and practice of the fragment-based approach to lead discovery The opportunities and challenges presented by multi-target drug discovery (MTDD) De novo design of lead compounds and new approaches to estimating the synthetic accessibility of de novo–designed molecules The impact of natural products on drug discovery, and potential of natural product–like compounds for exploring regions of biologically relevant chemical space Using early screening of hits and leads for metabolic, pharmacokinetic, and toxicological liabilities to reduce attrition during the later phases of drug discovery The utility of parallel synthesis and purification in lead discovery With each topic supported by numerous case studies, this is indispensable reading for researchers in industry and academia who wish to keep up to date with the latest strategies and approaches in drug discovery.
Adaptive Systems In Control And Signal Processing 1989
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Author : T.S. Durrani
language : en
Publisher: Elsevier
Release Date : 2014-06-28
Adaptive Systems In Control And Signal Processing 1989 written by T.S. Durrani and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2014-06-28 with Technology & Engineering categories.
The Symposium covered three major areas: adaptive control, identification and signal processing. In all three, new developments were discussed covering both theoretical and applications research. Within the subject area of adaptive control the discussion centred around the challenges of robust control design to unmodelled dynamics, robust parameter estimation and enhanced performance from the estimator, while the papers on identification took the theme of it being a bridge between adaptive control and signal processing. The final area looked at two aspects of signal processing: recursive estimation and adaptive filters.
Adaptive Systems In Control And Signal Processing 1986
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Author : K.J. Aström
language : en
Publisher: Elsevier
Release Date : 2016-07-21
Adaptive Systems In Control And Signal Processing 1986 written by K.J. Aström and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2016-07-21 with Technology & Engineering categories.
This second IFAC workshop discusses the variety and applications of adaptive systems in control and signal processing. The various approaches to adaptive control systems are covered and their stability and adaptability analyzed. The volume also includes papers taken from two poster sessions to give a concise and comprehensive overview/treatment of this increasingly important field.
Systems Thinking In Medicine And New Drug Discovery
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Author : Robert E. Smith
language : en
Publisher: Cambridge Scholars Publishing
Release Date : 2018-12-17
Systems Thinking In Medicine And New Drug Discovery written by Robert E. Smith and has been published by Cambridge Scholars Publishing this book supported file pdf, txt, epub, kindle and other format this book has been release on 2018-12-17 with Medical categories.
Total Quality Management (TQM) and systems thinking are being used to improve all aspects of human health. This first book in a two-volume set details how the healthcare community is working with patients and their caregivers to improve healthcare and reduce its costs. Systems-based thinking encourages us to work together to look at the effects of new drugs on entire systems and not just single molecular targets. It also leads us to a better understanding of genetics and epigenetics, as well as the deep ecology of the human body. The healthcare community is developing targeted therapies that stimulate our own bodies to cure ourselves and eliminate the need for animal testing. This book will appeal to specialists, who will find recommendations on safer materials for 3D bioprinting and ways to analyze dietary supplements for toxic contaminants, and physicians, pharmacists and non-professionals, who will learn the important different ways that dietary supplements and prescription drugs are developed, sold and marketed.
Molecular Design
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Author : Gisbert Schneider
language : en
Publisher: John Wiley & Sons
Release Date : 2008-02-26
Molecular Design written by Gisbert Schneider 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 2008-02-26 with Science categories.
This first introductory-level textbook on the design of small molecules is written with the first-time user in mind. Aimed at students and scientists alike, it uses computer-based methods to design and analyze such small molecules as drugs, enzyme inhibitors, probes and markers for biomolecules. Both authors have extensive practical experience of modeling and design and share their knowledge of what can and cannot be done with computer-assisted design. Divided into four sections, the book begins with a look at molecular objects and design objectives, including molecular geometry, properties, recognition and dynamics. Two further sections deal with virtual synthesis and screening, while the final section covers navigation in chemical space. The result is a textbook that takes the modeler one step further, to the de novo design of functional molecules. With its study questions at the end of each learning unit, this is equally suitable for teaching and self-learning.
Drug Like Properties Concepts Structure Design And Methods
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Author : Li Di
language : en
Publisher: Elsevier
Release Date : 2010-07-26
Drug Like Properties Concepts Structure Design And Methods written by Li Di and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2010-07-26 with Science categories.
Of the thousands of novel compounds that a drug discovery project team invents and that bind to the therapeutic target, typically only a fraction of these have sufficient ADME/Tox properties to become a drug product. Understanding ADME/Tox is critical for all drug researchers, owing to its increasing importance in advancing high quality candidates to clinical studies and the processes of drug discovery. If the properties are weak, the candidate will have a high risk of failure or be less desirable as a drug product. This book is a tool and resource for scientists engaged in, or preparing for, the selection and optimization process. The authors describe how properties affect in vivo pharmacological activity and impact in vitro assays. Individual drug-like properties are discussed from a practical point of view, such as solubility, permeability and metabolic stability, with regard to fundamental understanding, applications of property data in drug discovery and examples of structural modifications that have achieved improved property performance. The authors also review various methods for the screening (high throughput), diagnosis (medium throughput) and in-depth (low throughput) analysis of drug properties. - Serves as an essential working handbook aimed at scientists and students in medicinal chemistry - Provides practical, step-by-step guidance on property fundamentals, effects, structure-property relationships, and structure modification strategies - Discusses improvements in pharmacokinetics from a practical chemist's standpoint
Adaptive Systems In Control And Signal Processing 1992
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Author : L. Dugard
language : en
Publisher: Elsevier
Release Date : 2014-06-28
Adaptive Systems In Control And Signal Processing 1992 written by L. Dugard and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2014-06-28 with Technology & Engineering categories.
Adaptive Systems remain a very interesting field of theoretical research, extended by methodological studies and an increasing number of applications. The plenary papers, invited sessions and contributed sessions focused on many aspects of adaptive systems, such as systems identification and modelling, adaptive control of nonlinear systems and theoretical issues in adaptive control. Also covered were methodological aspects and applications of adaptive control, intelligent tuning and adaptive signal processing.
De Novo Molecular Design
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Author : Gisbert Schneider
language : en
Publisher: John Wiley & Sons
Release Date : 2013-10-10
De Novo Molecular Design written by Gisbert Schneider 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 2013-10-10 with Medical categories.
Systematically examining current methods and strategies, this ready reference covers a wide range of molecular structures, from organic-chemical drugs to peptides, Proteins and nucleic acids, in line with emerging new drug classes derived from biomacromolecules. A leader in the field and one of the pioneers of this young discipline has assembled here the most prominent experts from across the world to provide first-hand knowledge. While most of their methods and examples come from the area of pharmaceutical discovery and development, the approaches are equally applicable for chemical probes and diagnostics, pesticides, and any other molecule designed to interact with a biological system. Numerous images and screenshots illustrate the many examples and method descriptions. With its broad and balanced coverage, this will be the firststop resource not only for medicinal chemists, biochemists and biotechnologists, but equally for bioinformaticians and molecular designers for many years to come. From the content: * Reaction-driven de novo design * Adaptive methods in molecular design * Design of ligands against multitarget profiles * Free energy methods in ligand design * Fragment-based de novo design * Automated design of focused and target family-oriented compound libraries * Molecular de novo design by nature-inspired computing * 3D QSAR approaches to de novo drug design * Bioisosteres in de novo design * De novo design of peptides, proteins and nucleic acid structures, including RNA aptamers and many more.