The pharmacokinetic and safety profiles of clinical drug candidates are greatly influenced by their requisite physicochemical properties. In particular, it has been shown that 2D molecular descriptors such as fraction of Sp3 carbon atoms (Fsp3) and number of stereo centers correlate with clinical success. Corso Fotografia National Geographic Pdf Download on this page. Picasa Photo Editor Free Download For Nokia E63 here. Using the proteomic off-target hit rate of nicotinic ligands, we found that shape-based 3D descriptors such as the radius of gyration and shadow indices discriminate off-target promiscuity better than do Fsp3 and the number of stereo centers.
This, the first text written specifically for this field, aims to provide an introduction to the major techniques of chemoinformatics. The first part of the book deals with the representation of 2D and 3D molecular structures, the calculation of molecular descriptors and the construction of mathematical models. The second part. Feb 12, 2010. Molecular Descriptors for Chemoinformatics: Volume I: Alphabetical Listing / Volume II: Appendices, References. Additional Information(Show All). How to CiteEditor InformationPublication HistoryBook Series InformationISBN Information. Jun 20, 2008. Winavi All In One Converter Key Serial. Research applications in chemoinformatics and toxicoinformatics increasingly use representations of molecules in the form of numerical descriptors that capture the structural characteristics and properties of molecules. These representations are useful for ADME/toxicity prediction, diversity analysis, library.