Chemogenomics and Chemical Genetics : A User's Introduction for Biologists, Chemists and Informaticians
Biological and chemical sciences have undergone an unprecedented transformation, reflected by the huge use of parallel and automated technologies in key fields such as genome sequencing, DNA chips, nanoscale functional biology or combinatorial chemistry. It is now possible to generate and store from...
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| Médium: | Livre numérique |
| Jazyk: | Anglais |
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Berlin, Heidelberg :
Springer Berlin Heidelberg
[20..].
Cham : Springer Nature |
| Vydání: | 1st ed. 2011. |
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L impression du document génère 267 p. Archives Springer e-books (Licence nationale) Archives Springer e-books (Licence nationale) |
| Autres localisations: | Voir dans le Sudoc |
| Edition sous un autre format: | • Chemogenomics and Chemical Genetics, A User's Introduction for Biologists, Chemists and Informaticians, Eric Maréchal, Sylvaine Roy, Laurence Lafanechère, editors, 2011, Berlin, Heidelberg, Springer Berlin Heidelberg, 1 vol. (256 p.), Grenoble sciences, 978-3-642-19614-0 |
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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
- Partie I. Automated pharmacological screening
- Partie II. High-content screening and the strategies for chemical genetics
- Partie III. Towards an in-silico exploration of chemical and biological space
- Appendix. Bridging past and future
- Introduction
- 1. The pharmacological screening process: the small molecule, the biological target, the robot, the signal and the information / E. Maréchal, S. Roy, L. Lafanechère
- 2. Collections of molecules for screening: example of the French National Chemical Library / M. Hibert
- 3. The miniaturised biological assay: constraints and limitations / M. Knibiehler
- 4. The signal: statistical aspects, standardisation, elementary analysis / S. Wieczorek
- 5. Measuring bioactivity: Ki, IC50 and EC50 / E. Maréchal
- 6. Modelling the pharmacological screening: controlling the processes and the chemical, biological and experimental information / S. Roy
- 7. Quality procedures in automated screening / C. Barette
- 8. Phenotypic screening of cells and the strategies for direct chemical genetics / L. Lafanechère
- 9. High information content screens for forward (phenotypic screening of organisms) and reverse (structural screening by NMR) chemical genetics / B. Déprez
- 10. Some principles of Diversity-Oriented Synthesis / Y-S. Wong
- 11. Molecular descriptors and similarity indices / S. Aci
- 12. Lipophilicity of molecules: a predominant descriptor for QSAR / G. Grassy, A. Chavanieu
- 13. The annotation and classification of chemical space in chemogenomics / D. Horvath
- 14. The annotation and classification of biological space in chemogenomics / J. Mestres
- 15. Machine learning and screening data / G. Bisson
- 16. Virtual screening by molecular docking / D. Rognan
- 17. Biodiversity as a source of small molecules for pharmacological screening: libraries of plant extracts / F. Gueritte, T. Sevenet, M. Litaudon, V. Dumontet