Abstract: Subcellular pharmacokinetics (SP) optimizes biology-related factors in the design of libraries for high throughput screening by defining comparatively narrow ranges of properties (lipophilicity, amphiphilicity, acidity, reactivity, 3D-structural features) of the included compounds. The focusing ensures appropriate absorption, distribution, metabolism, excretion, ...

Abstract: The purpose of this study was to develop quantitative structure-activity relationships (QSARs) for the toxicity of 268 aromatic compounds in the Tetrahymena pyriformis growth inhibition assay. The QSARs were developed using the response-surface (or two-parameter) approach, which was also modified using linear free-energy parameters to account for outliers. ...

Abstract: Toxicity data for 82 aliphatic chemicals with an alpha,beta-unsaturated substructure were compiled. Toxicity was assessed in the 2-day Tetrahymena pyriformis population growth impairment assay. Toxic potency [log(IGC50(-1))] for most of these chemicals was in excess of baseline narcosis as quantified by the 1-octanol/water partition coefficient (log K(ow)). ...