| Literature DB >> 15537364 |
Jing J Lu1, Kimberly Crimin, Jay T Goodwin, Patrizia Crivori, Christian Orrenius, Li Xing, Peter J Tandler, Thomas J Vidmar, Benny M Amore, Alan G E Wilson, Pieter F W Stouten, Philip S Burton.
Abstract
The relationship of rotatable bond count (N(rot)) and polar surface area (PSA) with oral bioavailability in rats was examined for 434 Pharmacia compounds and compared with an earlier report from Veber et al. (J. Med. Chem. 2002, 45, 2615). N(rot) and PSA were calculated with QikProp or Cerius2. The resulting correlations depended on the calculation method and the therapeutic class within the data superset. These results underscore that such generalizations must be used with caution.Entities:
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Year: 2004 PMID： 15537364 DOI： 10.1021/jm0306529
Source DB: PubMed Journal: J Med Chem ISSN： 0022-2623 Impact factor: 7.446