Adaptive Systems in Drug Design

Adaptive Systems in Drug Design PDF Author: Gisbert Schneider
Publisher: CRC Press
ISBN: 149871370X
Category : Science
Languages : en
Pages : 169

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Book Description
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

Adaptive Systems in Drug Design PDF Author: Gisbert Schneider
Publisher: CRC Press
ISBN: 149871370X
Category : Science
Languages : en
Pages : 169

Get Book

Book Description
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.

Lead Generation Approaches in Drug Discovery

Lead Generation Approaches in Drug Discovery PDF Author: Zoran Rankovic
Publisher: John Wiley & Sons
ISBN: 0470584165
Category : Medical
Languages : en
Pages : 310

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Book Description
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.

Chemogenomics in Drug Discovery

Chemogenomics in Drug Discovery PDF Author: Hugo Kubinyi
Publisher: John Wiley & Sons
ISBN: 3527604022
Category : Science
Languages : en
Pages : 487

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Book Description
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.

Molecular Design

Molecular Design PDF Author: Gisbert Schneider
Publisher: John Wiley & Sons
ISBN: 9783527314324
Category : Science
Languages : en
Pages : 284

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Book Description
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).

Handbook of Adaptive Designs in Pharmaceutical and Clinical Development

Handbook of Adaptive Designs in Pharmaceutical and Clinical Development PDF Author: Annpey Pong
Publisher: CRC Press
ISBN: 9781439810170
Category : Mathematics
Languages : en
Pages : 496

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Book Description
In response to the US FDA's Critical Path Initiative, innovative adaptive designs are being used more and more in clinical trials due to their flexibility and efficiency, especially during early phase development. Handbook of Adaptive Designs in Pharmaceutical and Clinical Development provides a comprehensive and unified presentation of the princip

De novo Molecular Design

De novo Molecular Design PDF Author: Gisbert Schneider
Publisher: John Wiley & Sons
ISBN: 3527677038
Category : Medical
Languages : en
Pages : 540

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Book Description
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.

The Role of NIH in Drug Development Innovation and Its Impact on Patient Access

The Role of NIH in Drug Development Innovation and Its Impact on Patient Access PDF Author: National Academies of Sciences, Engineering, and Medicine
Publisher: National Academies Press
ISBN: 0309498511
Category : Medical
Languages : en
Pages : 103

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Book Description
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.

Modern Biopharmaceuticals, 4 Volume Set

Modern Biopharmaceuticals, 4 Volume Set PDF Author: Jörg Knäblein
Publisher: John Wiley & Sons
ISBN: 352731184X
Category : Science
Languages : en
Pages : 2074

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Book Description
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.

Explainable AI in Health Informatics

Explainable AI in Health Informatics PDF Author: Rajanikanth Aluvalu
Publisher: Springer Nature
ISBN: 9819737052
Category :
Languages : en
Pages : 287

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Book Description


Intelligent and Adaptive Systems in Medicine

Intelligent and Adaptive Systems in Medicine PDF Author: Olivier C. L. Haas
Publisher: CRC Press
ISBN: 1420012088
Category : Medical
Languages : en
Pages : 402

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Book Description
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