Chemoinformatics in Drug Discovery
(Sprache: Englisch)
Chemoinformatics experts from large pharmaceutical as well as specialized startup companies demonstrate what can be achieved today by harnessing the power of chemoinformatics algorithms for the drug discovery process.
An invaluable resource for drug...
An invaluable resource for drug...
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Chemoinformatics experts from large pharmaceutical as well as specialized startup companies demonstrate what can be achieved today by harnessing the power of chemoinformatics algorithms for the drug discovery process.
An invaluable resource for drug developers and medicinal chemists in academia and industry.
An invaluable resource for drug developers and medicinal chemists in academia and industry.
Klappentext zu „Chemoinformatics in Drug Discovery “
This handbook provides the first-ever inside view of today's integrated approach to rational drug design. Chemoinformatics experts from large pharmaceutical companies, as well as from chemoinformatics service providers and from academia demonstrate what can be achieved today by harnessing the power of computational methods for the drug discovery process.With the user rather than the developer of chemoinformatics software in mind, this book describes the successful application of computational tools to real-life problems and presents solution strategies to commonly encountered problems. It shows how almost every step of the drug discovery pipeline can be optimized and accelerated by using chemoinformatics tools -- from the management of compound databases to targeted combinatorial synthesis, virtual screening and efficient hit-to-lead transition.An invaluable resource for drug developers and medicinal chemists in academia and industry.
Inhaltsverzeichnis zu „Chemoinformatics in Drug Discovery “
IntroductionVIRTUAL SCREENINGChemoinformatics in Lead DiscoveryComputational Chemistry, Molecular Complexity and Screening Set DesignAlgorithmic Engines in Virtual ScreeningStrengths and Limitations of Pharmacophore-Based Virtual ScreeningHIT AND LEAD DISCOVERYEnhancing Hit Quality and Diversity Within Assay Throughput ConstraintsMolecular Diversity in Lead Discovery: From Quantity to QualityIn Silico Lead OptimizationDATABASES AND LIBRARIESWOMBAT: World of Molecular BioactivityCabinet - Chemical And Biological Informatics NetworkStructure Modification in Chemical DatabasesRational Design of GPCR-specific Combinational Libraries Based on the Concept of Privileged SubstructuresCHEMINFORMATICS APPLICATIONSA Practical Strategy for Directed Compound AcquisitionEfficient Strategies for Lead OptimizationChemoinformatic Tools for Library Design and the Hit-to-Lead Process: A User's PerspectiveApplication of Predictive QSAR Models to Database MiningDrug Discovery in Academia - a Case Study
Autoren-Porträt von Oprea
Tudor I. Oprea is Professor of Biochemistry and Molecular Biology and Chief, Division of Biocomputing at the University of New Mexico School of Medicine, Albuquerque (USA). He was born in Timisoara (Romania) where he did all his studies including his Ph.D. thesis under the supervision of Francisc Schneider. He was a post-doctoral fellow at Washington University with Garland Marshall, and Los Alamos National Laboratory with Angel Garcia. He worked six years at AstraZeneca in Mölndal (Sweden), before moving to New Mexico as full Professor in 2002. He received the Hansch Award from the QSAR and Modeling Society in 2002. He is interested in chemoinformatics, virtual screening, QSAR, and lead and drug discovery.
Bibliographische Angaben
- Autor: Oprea
- 2005, XXII, 493 Seiten, 21 farbige Abbildungen, 128 Schwarz-Weiß-Abbildungen, Maße: 17,5 x 25 cm, Gebunden, Englisch
- Herausgegeben: Gerd Folkers, Raimund Mannhold, Hugo Kubinyi, Tudor I. Oprea
- Verlag: Wiley-VCH
- ISBN-10: 3527307532
- ISBN-13: 9783527307531
- Erscheinungsdatum: 01.03.2005
Sprache:
Englisch
Rezension zu „Chemoinformatics in Drug Discovery “
"Dieser Band ist eine hochwertige Quelle für Anwender aus der pharmazeutischen Forschung und der medizinischen Chemie."Nachrichten aus der Chemie"Chemoinformatics in Drug Discovery ist eine hochwertige Quelle für Anwender aus allen Bereichen der pharmazeutischen Forschung und medizinischen Chemie in Forschung und Industrie."Angewandte Chemie
Pressezitat
"...a well-written, up-to-date, and practical book for medicinal chemists and computational chemists working in drug discovery."Journal of Medicinal Chemistry"The volume is a valuable source of information for readers engaged in all areas of pharmaceutical research and development and medicinal chemistry."Angewandte Chemie International Edition"... a unique and richly erudite text premised on a sub-layer of the scientific process ..."Electric Review"...truly a delightful beginning and ending to a thoroughly superb reading that is worth the price of admission."Journal of the American Chemical Society
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