Chosei Kaseda

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Organic anion transporting polypeptide 1a5, Slco1a5 (previously called Oatp3, Slc21a7) is a multispecific transmembrane transport protein that belongs to the OATP/SLCO superfamily of solute carriers. It is expressed in several epithelial barriers such as the small intestine and the choroid plexus where it might play an important role in the disposition of(More)
In order to construct approximation functions on real-life data, it is necessary to remove outliers from the measured raw data before modeling. Although the standard Support Vector Regression based outlier detection methods for non-linear function with multidimensional input have achieved good performance, they have practical issues in computational costs(More)
Optimal solutions of theophylline tablet formulations were derived from three types of experimental datasets, composed of different numbers of data-points using the response surface method incorporating multivariate spline interpolation (RSM(S)). The reliability of these optimal solutions was evaluated by a bootstrap re-sampling technique. Different levels(More)
The response surface method incorporating multivariate spline interpolation (RSM-S) is a powerful technique for the formulation optimization of pharmaceuticals. However, no satisfactory method has been developed to evaluate the reliability of the optimal solution. We integrated bootstrap (BS) resampling and Kohonen's self-organizing maps (SOM) into RSM-S(More)
The integration of ligand- and structure-based strategies might sensitively increase the success of drug discovery process. We have recently described the application of Molecular Electrostatic Potential autocorrelated vectors (autoMEPs) in generating both linear (Partial Least-Square, PLS) and nonlinear (Response Surface Analysis, RSA) 3D-QSAR models to(More)
The optimal solutions of theophylline tablet formulations based on datasets from 4 experimental designs (Box and Behnken design, central composite design, D-optimal design, and full factorial design) were calculated by the response surface method incorporating multivariate spline interpolation (RSM(S)). Reliability of these solutions was evaluated by a(More)
Several quantitative structure-property relationship (QSPR) approaches have been explored for the prediction of aqueous solubility or aqueous solvation free energies, DeltaG(sol), as crucial parameter affecting the pharmacokinetic profile and toxicity of chemical compounds. It is mostly accepted that aqueous solvation free energies can be expressed(More)
Quantitative structure-activity relationships (QSARs) represent a very well consolidated computational approach to correlate structural or property descriptors of chemical compounds with their chemical or biological activities. We have recently reported that autocorrelation Molecular Electrostatic Potential (autoMEP) vectors in combination to Partial(More)
For precise estimation with soft sensors, it is necessary to remove outliers from the measured raw data before constructing the model. Conventionally, visualization and maximum residual error have been used for outlier detection, but they often fail to detect outliers for nonlinear function with multidimensional input. In this paper we propose a practical(More)
The design space of the granulation process of mefenamic acid tablets, based on Box and Behnken design datasets, was described by a response surface method incorporating multivariate spline interpolation. The reliability of the optimal solutions and the acceptance ranges were evaluated by a bootstrap (BS) resampling technique. The distribution of the BS(More)
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