Adaptive Systems In Drug Design

Author : Gisbert Schneider
Publisher : CRC Press
ISBN 13 : 149871370X
Total Pages : 169 pages
Book Rating : 4.02/5 ( download)

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Download or read book Adaptive Systems in Drug Design written by Gisbert Schneider and published by CRC Press. This book was released on 2002-10-01 with total page 169 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Author : Li Di
Publisher : Elsevier
ISBN 13 : 0080557619
Total Pages : 549 pages
Book Rating : 4.18/5 ( download)

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Download or read book Drug-like Properties: Concepts, Structure Design and Methods written by Li Di and published by Elsevier. This book was released on 2010-07-26 with total page 549 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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

Author : Zoran Rankovic
Publisher : John Wiley & Sons
ISBN 13 : 0470584165
Total Pages : 310 pages
Book Rating : 4.63/5 ( download)

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Download or read book Lead Generation Approaches in Drug Discovery written by Zoran Rankovic and published by John Wiley & Sons. This book was released on 2010-04-07 with total page 310 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Author : National Academies of Sciences, Engineering, and Medicine
Publisher : National Academies Press
ISBN 13 : 0309498511
Total Pages : 103 pages
Book Rating : 4.17/5 ( download)

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Download or read book The Role of NIH in Drug Development Innovation and Its Impact on Patient Access written by National Academies of Sciences, Engineering, and Medicine and published by National Academies Press. This book was released on 2020-01-27 with total page 103 pages. Available in PDF, EPUB and Kindle. Book excerpt: To explore the role of the National Institutes of Health (NIH) in innovative drug development and its impact on patient access, the Board on Health Care Services and the Board on Health Sciences Policy of the National Academies jointly hosted a public workshop on July 24â€"25, 2019, in Washington, DC. Workshop speakers and participants discussed the ways in which federal investments in biomedical research are translated into innovative therapies and considered approaches to ensure that the public has affordable access to the resulting new drugs. This publication summarizes the presentations and discussions from the workshop.

Author : Hugo Kubinyi
Publisher : John Wiley & Sons
ISBN 13 : 3527604022
Total Pages : 487 pages
Book Rating : 4.29/5 ( download)

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Download or read book Chemogenomics in Drug Discovery written by Hugo Kubinyi and published by John Wiley & Sons. This book was released on 2006-03-06 with total page 487 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemogenomics brings together the most powerful concepts in modern chemistry and biology, linking combinatorial chemistry with genomics and proteomics. This first reference devoted to the topic covers all stages of the early drug discovery process, from target selection to compound library and lead design. With the combined expertise of 20 research groups from academia and leading pharmaceutical companies, this is a must-have for every drug developer and medicinal chemist applying the powerful methods of chemogenomics to speed up the drug discovery process.

Author : Gisbert Schneider
Publisher : John Wiley & Sons
ISBN 13 : 9783527314324
Total Pages : 284 pages
Book Rating : 4.26/5 ( download)

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Download or read book Molecular Design written by Gisbert Schneider and published by John Wiley & Sons. This book was released on 2008-02-26 with total page 284 pages. Available in PDF, EPUB and Kindle. Book excerpt: Kleine Moleküle für Einsteiger: Dieser für Lehre und Selbststudium gleichermaßen geeignete Band behandelt den computergestützten Entwurf von Wirkstoffen, Enzyminhibitoren, Sonden und Markern für Biomoleküle und führt den Leser bis zum ersten eigenen De-Novo-Design eines funktionellen Moleküls. Gestützt auf lange Erfahrung im Molecular-Modeling-Umfeld erläutern die Autoren, welche Fragen mit den beschriebenen Methoden beantwortet werden können (und welche nicht).

Author : Gisbert Schneider
Publisher : John Wiley & Sons
ISBN 13 : 3527677038
Total Pages : 540 pages
Book Rating : 4.30/5 ( download)

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Download or read book De novo Molecular Design written by Gisbert Schneider and published by John Wiley & Sons. This book was released on 2013-10-10 with total page 540 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Author : Jörg Knäblein
Publisher : John Wiley & Sons
ISBN 13 : 352731184X
Total Pages : 2074 pages
Book Rating : 4.42/5 ( download)

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Download or read book Modern Biopharmaceuticals, 4 Volume Set written by Jörg Knäblein and published by John Wiley & Sons. This book was released on 2005-10-28 with total page 2074 pages. Available in PDF, EPUB and Kindle. Book excerpt: The biopharmaceutical market has come along way since 1982 when the first biopharmaceutical product, recombinant human insulin, was launched. Over 120 such products are currently being marketed around the world including nine blockbuster drugs. The global market for biopharmaceuticals, which is currently valued at US$41 billion, has been growing at an impressive compound annual growth rate of 21% over the previous five years. With over one third of all pipe-line products in active development are biopharmaceuticals, this segment is set to continue outperforming the total pharmaceutical market and could easily reach US$100 billion by the end of this decade.

Author : Olivier C. L. Haas
Publisher : CRC Press
ISBN 13 : 1420012088
Total Pages : 402 pages
Book Rating : 4.88/5 ( download)

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Download or read book Intelligent and Adaptive Systems in Medicine written by Olivier C. L. Haas and published by CRC Press. This book was released on 2008-03-19 with total page 402 pages. Available in PDF, EPUB and Kindle. Book excerpt: Intelligent and adaptive techniques are rapidly being used in all stages of medical treatment, from the initial diagnosis to planning delivery and follow-up therapy.To realize the full potential of these techniques, developers and end users must understand both the underlying technology and the specifics of the medical application considered. Focus

Author : Ying Tan
Publisher : Springer
ISBN 13 : 3319938185
Total Pages : 579 pages
Book Rating : 4.89/5 ( download)

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Download or read book Advances in Swarm Intelligence written by Ying Tan and published by Springer. This book was released on 2018-06-15 with total page 579 pages. Available in PDF, EPUB and Kindle. Book excerpt: The two-volume set of LNCS 10941 and 10942 constitutes the proceedings of the 9th International Conference on Advances in Swarm Intelligence, ICSI 2018, held in Shanghai, China, in June 2018. The total of 113 papers presented in these volumes was carefully reviewed and selected from 197 submissions. The papers were organized in topical sections namely: multi-agent systems; swarm robotics; fuzzy logic approaches; planning and routing problems; recommendation in social media; predication; classification; finding patterns; image enhancement; deep learning; theories and models of swarm intelligence; ant colony optimization; particle swarm optimization; artificial bee colony algorithms; genetic algorithms; differential evolution; fireworks algorithm; bacterial foraging optimization; artificial immune system; hydrologic cycle optimization; other swarm-based optimization algorithms; hybrid optimization algorithms; multi-objective optimization; large-scale global optimization.