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Chemogenomics and chemical genetics : a user's introduction for biologists, chemists, and informaticians

Author: Eric Maréchal; Sylvaine Roy; Laurence Lafanechère
Publisher: Heidelberg : Springer, ©2011.
Edition/Format:   Print book : EnglishView all editions and formats
Database:WorldCat
Summary:

This introductory manual presents the methods and concepts associated with this relatively new discipline, divided into brief, illustrated chapters that include practical examples as well as clear  Read more...

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Document Type: Book
All Authors / Contributors: Eric Maréchal; Sylvaine Roy; Laurence Lafanechère
ISBN: 9783642196140 3642196144 9783642196157 3642196152
OCLC Number: 748763418
Description: xi, 256 pages : illustrations, portraits
Contents: The pharmacological screening process:the small molecule, the biological target, the robot, the signal and the information.- Collections of molecules for screening: example of the French National Chemical Library.- The miniaturised biological assay: constraints and limitations.- The signal: statistical aspects, standardisation, elementary analysis.- Measuring bioactivity: Ki, IC50 and EC50.- Modelling the pharmacological screening:controlling the processes and the chemical, biological and experimental information.- Quality procedures in automated screening.- Phenotypic screening of cells and the strategies for direct chemical genetics.- High information content screens for forward (phenotypic screening of organisms) and reverse (structural screening by NMR) chemical genetics.- Some principles of Diversity-Oriented Synthesis.- Molecular descriptors and similarity indices.- Lipophilicity of molecules: a predominant descriptor for QSAR.- The annotation and classification of chemical space in chemogenomics.- The annotation and classification of biological space in chemogenomics.- Machine learning and screening data.- Virtual screening by molecular docking.- Biodiversity as a source of small molecules for pharmacological screening: libraries of plant extracts.
Other Titles: Chemogénomique.
Responsibility: Eric Maréchal, Sylvaine Roy, Laurence Lafanechère, editors.

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