TY  - BOOK
AU  - Testa,B.
AU  - Turski,L.
TI  - Virtual ADMET Assessment in Target Selection and Maturation
T2  - Solvay Pharmaceuticals Conferences,
SN  - 9781433701559
AV  - RM301.25 .V575 2006eb 
U1  - 615/.190285 
PY  - 2006///
CY  - Amsterdam
PB  - IOS Press
KW  - Drug development
KW  - Data processing
KW  - Congresses
KW  - Drugs
KW  - Pharmacokinetics
KW  - Design
KW  - Pharmaceutical Preparations
KW  - Drug Design
KW  - Computational Biology
KW  - Médicaments
KW  - Développement
KW  - Informatique
KW  - Congrès
KW  - Pharmacocinétique
KW  - Conception
KW  - Bio-informatique
KW  - MEDICAL
KW  - Drug Guides
KW  - bisacsh
KW  - Pharmacology
KW  - Pharmacy
KW  - Nursing
KW  - fast
KW  - Electronic book
KW  - Congress
KW  - Electronic books
KW  - Conference papers and proceedings
KW  - lcgft
KW  - Actes de congrès
KW  - rvmgf
N1  - Includes bibliographical references and index; 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; 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
N2  - 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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ER  -