Virtual ADMET Assessment in Target Selection and Maturation.

Virtual ADMET Assessment in Target Selection and Maturation.

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 methodologi...

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Bibliographic Details
Main Author: Testa, B.
Other Authors: Turski, L.
Format: eBook
Language:English
Published: Amsterdam : IOS Press, 2006.
Series:Solvay Pharmaceuticals Conferences ; v. 6.
Subjects:
Drug development > Data processing > Congresses.
Drug development > Congresses.
Drugs.
Pharmacokinetics.
Drugs > Design.
MEDICAL > Drug Guides.
MEDICAL > Pharmacology.
MEDICAL > Pharmacy.
MEDICAL > Nursing > Pharmacology.
Pharmacokinetics
Drugs > Design
Drugs
Drug development
proceedings (reports)
Conference papers and proceedings
Conference papers and proceedings.
Actes de congrès.
Online Access:Click for online access
Table of Contents:
  • 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.

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