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Chemogenomics and Chemical Genetics: A User's Introduction for Biologists, Chemists and Informaticians


​This book is dedicated to biologists, chemists and computer scientist beginners. It is organized in brief, illustrated chapters with practical examples. Clear definitions of biological, chemical and IT concepts are given in a glossary section to help readers who are not familiar with one of these disciplines. Chemogenomics and Chemical Genetics should therefore be helpful for students (from Bachelor's degree level), technological platform engineers, and researchers in biology, chemistry, bioinformatics, cheminformatics, both in biotech and academic laboratories.​​​

Published on 4 April 2011





Edited by Éric Maréchal, Sylvaine Roy and Laurence Lafanechère
Springer-Verlag Berlin and Heidelberg
ISBN-10: 3642196144
270 pages

Chemogenomics and Chemical Genetics: A User's Introduction for Biologists, Chemists and Informaticians


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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.

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