Molecular Diversity in Drug Design

• Corporate Author: SpringerLink (Online service)
• Other Authors: Dean, Philip M. (Editor), Lewis, Richard A. (Editor)
• Format: Electronic eBook
• Language: English
• Published: Dordrecht : Springer Netherlands, 2002.
• Subjects: Chemistry.; Pharmacy.; Chemoinformatics.; Chemistry, Physical and theoretical.; Computer Applications in Chemistry.; Theoretical and Computational Chemistry.

High-throughput screening and combinatorial chemistry are two of the most potent weapons ever to have been used in the discovery of new drugs. At a stroke, it seems to be possible to synthesise more molecules in a month than have previously been made in the whole of the distinguished history of orga...

Table of Contents:

• Issues in Molecular Diversity and the Role of Ligand Binding Sites
• Molecular Diversity in Drug Design. Application to High-speed Synthesis and High-Throughput Screening
• Background Theory of Molecular Diversity
• Absolute vs Relative Similarity and Diversity
• Diversity in Very Large Libraries
• Subset-Selection Methods For Chemical Databases
• Molecular Diversity in Site-focused Libraries
• Managing Combinatorial Chemistry Information
• Design of Small Libraries for Lead Exploration
• The Design of Small- and Medium-sized Focused Combinatorial Libraries.