Comprehensive Medicinal Chemistry II: Volume 4: COMPUTER-ASSISTED DRUG DESIGN

"Computer-assisted Drug Design" ("CADD") reviews the use of computational methods and how these can aid the drug discovery process. Experts review in-silico approaches for the design and improvement of drug properties. Techniques for modelling, analysing and optimization of properties including potency, selectivity and ADMET are presented. Methods discussed include the Quantitative Structure Activity Relationship (QSAR), ligand and structure-based, lead discovery and new directions. It is ideal for students and researchers in chemistry, biochemistry, medicinal chemistry and pharmacology and scientists working in the pharmaceutical industries.