| Document Type
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BL
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| Record Number
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1028864
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| Doc. No
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b783234
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| Main Entry
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Testa, B.
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| Title & Author
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Virtual ADMET Assessment in Target Selection and Maturation.
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| Publication Statement
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Amsterdam :: IOS Press,, 2006.
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| Series Statement
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Solvay Pharmaceuticals Conferences,; v. 6
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| Page. NO
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1 online resource (268 pages)
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| ISBN
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142946772X
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: 1433701553
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: 1607502194
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: 9781429467728
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: 9781433701559
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: 9781607502197
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158603703X
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9781586037031
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| Bibliographies/Indexes
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Includes bibliographical references and index.
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| Contents
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Preface; List of Contributors; Contents; Conference Preface; The Risky Business of Developing Drugs; Benefits and Limits of in Silico Predictions; Musings on ADME Predictions and Molecular Structure; Lipophilicity: Its Calculation and Application in ADMET Predictions; Interpretation of the Role of the Electrotopological State and Molecular Connectivity Indices in the Prediction of Physical Properties and ADME-Tox Behavior -- Case Study: Human Plasma Protein Binding; Molecular Descriptors for Predicting ADMET Properties; Molecular Fields to Assess Recognition Forces and Property Spaces.
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Extracting Pharmacophores from Bio-Active MoleculesIn Silico Models for Human Bioavailability; In Silico Models to Predict Brain Uptake; Algorithms to Predict Affinity for Transporters; Predicting Affinity for and Metabolism by Cytochromes P450; Expert Systems to Predict Biotransformation; Expert Systems to Predict Toxicity; From in Vivo to in Vitro/in Silico ADME: Progress and Challenges; Author Index.
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| Abstract
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Today, biologists and medicinal chemists realize that there is a strong relationship between pharmacodynamic (what the drug does to the organism) and pharmacokinetic (what the organism does to the drug) effects. A significant contributing factor to the evolution in drug discovery was the methodological and technological revolution with the advent of combinatorial chemistry, high-throughput screening and profiling, and in silico prediction of target-based activity and ADMET (absorption, distribution, metabolism, excretion and toxicity) properties. High-throughput screening and in silico methods.
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| Subject
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Drug development, Congresses.
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Drug development-- Data processing, Congresses.
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Computational Biology.
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Drug Design.
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Pharmaceutical Preparations.
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Pharmacokinetics.
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Drug development.
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MEDICAL-- Drug Guides.
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MEDICAL-- Nursing-- Pharmacology.
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MEDICAL-- Pharmacology.
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MEDICAL-- Pharmacy.
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| Dewey Classification
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615/.190285
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| LC Classification
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RM301.25 .V575 2006eb
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| NLM classification
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2008 G-399
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QV 744V818 2006
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| Added Entry
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Turski, L.
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