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- Title
Quantifying the shifts in physicochemical property space introduced by the metabolism of small organic molecules.
- Authors
Kirchmair, Johannes; Howlett, Andrew; Peironcely, Julio; Murrell, Daniel S.; Williamson, Mark; Adams, Samuel E.; Hankemeier, Thomas; van Buren, Leo; Duchateau, Guus; Klaffke, Werner; Glen, Robert C.
- Abstract
A conference paper about the metabolic analysis of small organic molecules and shift quantification of physicochemical property space introduced by them is presented. It states that the study investigates the difference between the molecules of metabolic product form their parent molecule. The result suggests new approaches to utilize metabolism analysis as a way for the development of new drugs and cosmetics.
- Subjects
ORGANIC compound derivatives; MOLECULES; DRUG metabolism; DRUG-food interactions; DRUG design; PHYSIOLOGY
- Publication
Journal of Cheminformatics, 2013, Vol 5, Issue S1, p1
- ISSN
1758-2946
- Publication type
Article
- DOI
10.1186/1758-2946-5-S1-O12