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.

A facile copper-dopamine coating with possibility of continuously generating NO from endogenous RSNOs was constructed on vascular stent for inhibiting coagulation and selectively promoting endothelial cells while inhibiting smooth muscle cell.

In order to study how the heavy metal pollution disseminates in urban surface soil and to recognize its evolutive pattern, this paper provides a model with time variable based on Euler method which could avoid the shortcoming of the traditional constant time assumption. We establish a set of spatial-temporal equations and derive their analytical solutions by 3-order Fourier transform.