Regression analysis using distribution coefficient

Using regression analysis on a data set of about 50 different molecules, it was found that a. = —4.4,8 = —0.5, Df = 12 cm2/s, and =2.5x 10 5 cm2/s [192], A graphic representation of the effect of relative molecular mass (Mr) and distribution coefficient on corneal permeability is shown in Fig. 13. One observes a rapid reduction in permeability coefficient with decreasing P and increasing Mr. The addition of pores to the model, a mathematical construct, is necessary to account for permeability of polar molecules, such as mannitol and cromolyn. These would also be required for correlating effects of compounds, such as benzalkonium chloride, which may compromise the... [Pg.442]

To test the applicability of statistical techniques for determination of the species contributions to the scattering coefficient, a one-year study was conducted in 1979 at China Lake, California. Filter samples of aerosol particles smaller than 2 ym aerodynamic diameter were analyzed for total fine mass, major chemical species, and the time average particle absorption coefficient, bg. At the same time and location, bgp was measured with a sensitive nephelometer. A total of 61 samples were analyzed. Multiple regression analysis was applied to the average particle scattering coefficient and mass concentrations for each filter sample to estimate aj and each species contribution to light scattering, bgn-j. Supplementary measurements of the chemical-size distribution were used for theoretical estimates of each b pj as a test of the effectiveness of the statistical approach. [Pg.128]

D 3D AD ADME ADMET ANN ARD BCI BCUT BNN C4.5 CART ClogP CoMFA CV Two dimensional Three dimensional Applicability domain Absorption, distribution metabolism, and excretion Absorption, distribution metabolism, excretion, and toxicity Artificial neural network Automatic relevance determination Bernard chemical information Burden, CAS, University of Texas descriptors Bayesian neural network Decision trees using information entropy Classification and regression tree Calculated partition coefficient between octanol and water Comparative molecular field analysis Cross-validation... [Pg.375]