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V1763 Sigma

Virtual Screening for Bioactive Molecules

  •  ISBN-10 3-527-30153-4

  •  ISBN-13 978-3-527-30153-9

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Related Categories Books and Software, Drug Discovery Books, Labware More...
publication info   H.J. Bohm and G. Schneider, ed., Wiley-VCH, 2000, 326 pp., hard cover
mfr. no.   Wiley

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General description

Screening techniques are very common in biochemistry and biology to find out if new molecules are potential drugs. The huge amounts of new potential drugs are tested in most of the cases in a screening in view of only one special disease or one special function. There is not enough human power or financial resources to test these substances with common screening methods in order to know if they are active or helpful. Virtual screening can help industry to increase their efficiency drastically by estimating the activity of compounds not in an experiment, but with the computer.

Table of Contents

High-Throughput Screening and Virtual Screening: Entry Points to Drug Discovery
Library Filtering Systems and Prediction of Drug-Like Properties
Prediction of Physicochemical Properties.
Descriptor-Based Similarity Measures for Screening Chemical Databases .
Modelling Structure - Activity Relationships
Database Profiling by Neural Networks .
Pharmacophore Pattern Application in Virtual Screening, Library Design and QSAR
Evolutionary Molecular Design in Virtual Fitness Landscapes
Practical Approaches to Evolutionary Design
Understanding Receptor - Ligand Interactions as a Prerequisite for Virtual Screening .
Structure-Based Library Design .
The Measurement of Molecular Divesity
Index.

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