Dichloroacetate (DCA) is a simple and small anticancer drug that arouses the activity of the enzyme pyruvate dehydrogenase (PDH) through inhibition of the enzyme pyruvate dehydrogenase kinases (PDK1-4). DCA can selectively promote mitochondria-regulated apoptosis, depolarizing the hyperpolarized inner mitochondrial membrane potential to normal levels, inhibit tumor growth and reduce proliferati...

Histamine H3 receptor subtype has been the target of several recent drug development programs. Quantitative structure-activity relationship (QSAR) methods are used to predict the pharmaceutically relevant properties of drug candidates whenever it is applicable. The aim of this study was to compare the predictive powers of three different QSAR techniques, namely, multiple linear regression (MLR)...

The support vector machine (SVM), as a novel type of learning machine, for the first time, was used to develop a Quantitative Structure-Property Relationship (QSPR) model of the heat capacity of a diverse set of 182 compounds based on the molecular descriptors calculated from the structure alone. Multiple linear regression (MLR) and radial basis function networks (RBFNNs) were also utilized to ...

qspr study on benzene derivatives have been made using recently introduced topological methodology. in this study the relationship between the randic' (x'), balaban (j), szeged (sz),harary (h), wiener (w), hyperwiener and wiener polarity (wp) to the thermal energy (eth), heat capacity (cv) and entropy (s) of benzene derivatives is represented.physicochemical properties are taken from the quantu...

Antitubercular activity of 5-nitrofuran-2-yl Derivatives series were subjected to Quantitative Structure Activity Relationship (QSAR) Analysis with an effort to derive and understand a correlation between the biological activity as response variable and different molecular descriptors as independent variables. QSAR models are built using 40 molecular descriptor dataset. Different statistical re...

Nitrogen (N) is an essential element for crop growth and its accurate assessment in plants is a key to nutrient management. This research was conducted to explore the feasibility of using spectral reflectance to predict nitrogen content in corn plant varieties with varying color. A problem identified by previous researchers is the variability of spectral responses from varieties with different ...

Wave overtopping at breakwaters is one of their essential hydraulic characteristics when determining the design crest level. This study concentrates on developing a new practical formula on predicting wave overtopping, by implementing two different statistical models, Multiple Linear Regression model (MLR) and Generalized Linear Regression model (GLM). The models consider dependency of overtopp...

In this paper, we present a statistical method based on GMM modeling to map the acoustic speech spectral features to visual features of Cued Speech in the regression criterion of Minimum Mean-Square Error (MMSE) in a low signal level which is innovative and different with the classic text-to-visual approach. Two different training methods for GMM, namely Expecting-Maximization (EM) approach and...

A hybrid algorithm combining support vector regression with evolutionary strategy (SVR-ES) is proposed for predictive models in the environmental sciences. SVR-ES uses uncorrelated mutation with p step sizes to find the optimal SVR hyper-parameters. Three environmental forecast datasets used in the WCCI-2006 contest – surface air temperature, precipitation and sulphur dioxide concentration – we...