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Molecular drug properties : measurement and prediction

Author: Raimund Mannhold
Publisher: Weinheim : Wiley-VCH, ©2008.
Series: Methods and principles in medicinal chemistry, v. 37.
Edition/Format:   Print book : EnglishView all editions and formats
Summary:
This handbook shows the best and quickest way to estimate those molecular properties most relevant for the efficiency and pharmacokinetic performance of a drug molecule: lipophilicity, pKa, solubility, permeation and conformation.
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Genre/Form: Aufsatzsammlung
Material Type: Internet resource
Document Type: Book, Internet Resource
All Authors / Contributors: Raimund Mannhold
ISBN: 9783527317554 3527317554
OCLC Number: 182662675
Description: xxx, 471 pages : illustrations (some color) ; 25 cm.
Contents: INTRODUCTION Global drug properties Physicochemical Properties in Drug Profiling ELECTRONIC PROPERTIES Drug Ionization and Physicochemical Profiling Electrotopological state indices Polar surface area Calculation of Hydrogen Bonding Capabilities CONFORMATION 3D structure generation Ligand Conformational Sampling Techniques Conformational analysis of drugs by NMR SOLUBILITY Experimental approaches to aqueous solubility Solubility Calculation approaches LIPOPHILICITY Partitioning approaches for measuring logP chromatographic approaches Substructure-based logP calculation Property-based logP calculation LogD: measurement and calculation DRUG- AND LEAD-LIKENESS Properties guiding drug- and leadlikeness
Series Title: Methods and principles in medicinal chemistry, v. 37.
Responsibility: edited by Raimund Mannhold.
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A unique handbook that shows the best and quickest way to estimate those molecular properties most relevant for the efficiency and pharmacokinetic performance of a drug molecule: lipophilicity, pKa,  Read more...

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Molecular Drug Properties: Measurement and Prediction is a good read and a useful book and will provide valuable advice to the ever increasing diversity of researchers tackling the task of drug Read more...

 
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